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

C12H10N4O2 — CID 174936745

IUPAC5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnc3[nH]ccc3c2)no1
InChIInChI=1S/C12H10N4O2/c1-7-4-10(16-18-7)12(17)15-9-5-8-2-3-13-11(8)14-6-9/h2-6H,1H3,(H,13,14)(H,15,17)
InChIKeyBBFSAHAYHNYHLZ-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.11
Rot. Bonds2

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

5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 174936745) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID174936745
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cnc3[nH]ccc3c2)no1
InChIInChI=1S/C12H10N4O2/c1-7-4-10(16-18-7)12(17)15-9-5-8-2-3-13-11(8)14-6-9/h2-6H,1H3,(H,13,14)(H,15,17)
InChIKeyBBFSAHAYHNYHLZ-UHFFFAOYSA-N
XLogP2.11
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid
CID 67007623
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70866161
3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 89151606
tert-butyl 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoate
CID 68919681
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 17349172
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 56675551
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51148639
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51093188

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide (CID 174936745) is 5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cnc3[nH]ccc3c2)no1.
What is the InChIKey of 5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BBFSAHAYHNYHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-7-4-10(16-18-7)12(17)15-9-5-8-2-3-13-11(8)14-6-9/h2-6H,1H3,(H,13,14)(H,15,17).
What are the key properties of 5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 242.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 174936745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).