2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C17H16N4O3 — CID 139675679

IUPAC2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CC2=C(O)CCn3c2nc2ccccc23)on1
InChIInChI=1S/C17H16N4O3/c1-10-8-16(24-20-10)19-15(23)9-11-14(22)6-7-21-13-5-3-2-4-12(13)18-17(11)21/h2-5,8,22H,6-7,9H2,1H3,(H,19,23)
InChIKeyPEMVNCXEILQQPJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.03
Rot. Bonds3

About 2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 139675679) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID139675679
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CC2=C(O)CCn3c2nc2ccccc23)on1
InChIInChI=1S/C17H16N4O3/c1-10-8-16(24-20-10)19-15(23)9-11-14(22)6-7-21-13-5-3-2-4-12(13)18-17(11)21/h2-5,8,22H,6-7,9H2,1H3,(H,19,23)
InChIKeyPEMVNCXEILQQPJ-UHFFFAOYSA-N
XLogP3.03
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)acetamide
CID 139675750
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 17454322
2-(1,3-benzodioxol-5-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 45284628
2-(1H-indol-3-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 43420110
N-(2-chlorophenyl)-3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135508619
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
N-(3-methyl-1,2-oxazol-5-yl)-2-piperazin-1-ylacetamide
CID 43130598
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 18128877
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51930856
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154420
3-hydroxy-N-[2-(trifluoromethyl)phenyl]-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
CID 135819086
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 87037493

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 139675679) is 2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CC2=C(O)CCn3c2nc2ccccc23)on1.
What is the InChIKey of 2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is PEMVNCXEILQQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-8-16(24-20-10)19-15(23)9-11-14(22)6-7-21-13-5-3-2-4-12(13)18-17(11)21/h2-5,8,22H,6-7,9H2,1H3,(H,19,23).
What are the key properties of 2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1,2-dihydropyrido[1,2-a]benzimidazol-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 139675679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).