4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

C20H21N5O3 — CID 91839064

IUPAC4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)c1cc(C(=O)N2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)on1
InChIInChI=1S/C20H21N5O3/c1-11(2)15-9-17(28-24-15)20(27)25-8-7-14-16(10-25)23-19(22-14)13-5-3-12(4-6-13)18(21)26/h3-6,9,11H,7-8,10H2,1-2H3,(H2,21,26)(H,22,23)
InChIKeyCVRWJQHSAOYSDD-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.49
Rot. Bonds4

About 4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 91839064) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID91839064
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)c1cc(C(=O)N2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)on1
InChIInChI=1S/C20H21N5O3/c1-11(2)15-9-17(28-24-15)20(27)25-8-7-14-16(10-25)23-19(22-14)13-5-3-12(4-6-13)18(21)26/h3-6,9,11H,7-8,10H2,1-2H3,(H2,21,26)(H,22,23)
InChIKeyCVRWJQHSAOYSDD-UHFFFAOYSA-N
XLogP2.49
TPSA118.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(6-aminopyridine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91782580
4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91797048
4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91834797
4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 124680303
4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 124754292
4-[5-(2-propan-2-ylsulfanylethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91761222
[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 72849051
2-methyl-7-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136763918
5-[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1,2-oxazol-3-one
CID 77090493
(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72910183
4-[5-(morpholine-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91767992
4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide
CID 91760550

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (CID 91839064) is 4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is CC(C)c1cc(C(=O)N2CCc3nc(-c4ccc(C(N)=O)cc4)[nH]c3C2)on1.
What is the InChIKey of 4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is CVRWJQHSAOYSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-11(2)15-9-17(28-24-15)20(27)25-8-7-14-16(10-25)23-19(22-14)13-5-3-12(4-6-13)18(21)26/h3-6,9,11H,7-8,10H2,1-2H3,(H2,21,26)(H,22,23).
What are the key properties of 4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 91839064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).