3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide

C24H17ClN4O3 — CID 91624668

IUPAC3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide
SMILESCc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C24H17ClN4O3/c1-13-18(12-19-24(26-13)31-23(28-19)15-8-4-3-5-9-15)27-22(30)20-14(2)32-29-21(20)16-10-6-7-11-17(16)25/h3-12H,1-2H3,(H,27,30)
InChIKeySVNWYJVWZIWDJR-UHFFFAOYSA-N
MW444.88 g/mol
LogP6.07
Rot. Bonds4

About 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide (PubChem CID 91624668) has the molecular formula C24H17ClN4O3 and a molecular weight of 444.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide
PubChem CID91624668
Molecular FormulaC24H17ClN4O3
Molecular Weight444.88 g/mol
Exact Mass444.10
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide
SMILESCc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C24H17ClN4O3/c1-13-18(12-19-24(26-13)31-23(28-19)15-8-4-3-5-9-15)27-22(30)20-14(2)32-29-21(20)16-10-6-7-11-17(16)25/h3-12H,1-2H3,(H,27,30)
InChIKeySVNWYJVWZIWDJR-UHFFFAOYSA-N
XLogP6.07
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.88
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3658250
3-(2-chlorophenyl)-N-[4-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-methylphenyl]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4521302
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3443084
3-bromo-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)benzamide
CID 91624677
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78829449
3-(2-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2731141
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78829081
3-(2-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1259716
N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide
CID 91813609
3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
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CID 1070119

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide (CID 91624668) is 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide is Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is SVNWYJVWZIWDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O3/c1-13-18(12-19-24(26-13)31-23(28-19)15-8-4-3-5-9-15)27-22(30)20-14(2)32-29-21(20)16-10-6-7-11-17(16)25/h3-12H,1-2H3,(H,27,30).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 444.88 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 91624668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).