IP7e

CAT: 0127-BUP03411-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03411-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

500164-74-9

Synonyms

IP 7e, IP-7e, isoxazolo-pyridinone 7e

Purity

=98%

Smiles

COCCOCc1ccc(cc1)-c1cc2onc(-c3ccccc3)c2c(=O)n1C

Chemical Information

6-{4-[(2-methoxyethoxy)methyl]phenyl}-5-methyl-3-phenyl-4H,5H-[1,2]oxazolo[4,5-c]pyridin-4-one

CAS Number	500164-74-9
PubChem CID	9908426
IUPAC Name	6-[4-(2-methoxyethoxymethyl)phenyl]-5-methyl-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
Molecular Formula	C23H22N2O4
Molecular Weight	390.4
XLogP	2.8
Topological Polar Surface Area	64.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	581

SMILES

CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)COCCOC

InChI

InChI=1S/C23H22N2O4/c1-25-19(17-10-8-16(9-11-17)15-28-13-12-27-2)14-20-21(23(25)26)22(24-29-20)18-6-4-3-5-7-18/h3-11,14H,12-13,15H2,1-2H3

InChIKey

YCAACZFPADQMAR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 500164-74-9

CID: 9908426

Formula: C23H22N2O4

MW: 390.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	390.4
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	390.15795719
Monoisotopic Mass	390.15795719
Topological Polar Surface Area	64.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	581
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes