4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide

C19H16N4O2 — CID 76684327

IUPAC4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2cnc3[nH]c(-c4ccccc4)cc3c2)c1C
InChIInChI=1S/C19H16N4O2/c1-11-12(2)25-23-17(11)19(24)21-15-8-14-9-16(22-18(14)20-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,24)
InChIKeyWPHVMFWQBRPROW-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.09
Rot. Bonds3

About 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide

4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 76684327) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID76684327
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2cnc3[nH]c(-c4ccccc4)cc3c2)c1C
InChIInChI=1S/C19H16N4O2/c1-11-12(2)25-23-17(11)19(24)21-15-8-14-9-16(22-18(14)20-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,24)
InChIKeyWPHVMFWQBRPROW-UHFFFAOYSA-N
XLogP4.09
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide (CID 76684327) is 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2cnc3[nH]c(-c4ccccc4)cc3c2)c1C.
What is the InChIKey of 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is WPHVMFWQBRPROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-12(2)25-23-17(11)19(24)21-15-8-14-9-16(22-18(14)20-10-15)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,20,22)(H,21,24).
What are the key properties of 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide?
4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 76684327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).