N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide

C16H16N4O2 — CID 75392653

IUPACN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C16H16N4O2/c1-9-14(17-8-22-9)16(21)18-11-5-6-13-12(7-11)19-15(20(13)2)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,18,21)
InChIKeyAAFHTDXJGYZOAW-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.00
Rot. Bonds3

About N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide

N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 75392653) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID75392653
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C16H16N4O2/c1-9-14(17-8-22-9)16(21)18-11-5-6-13-12(7-11)19-15(20(13)2)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,18,21)
InChIKeyAAFHTDXJGYZOAW-UHFFFAOYSA-N
XLogP3.00
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylfuran-3-carboxamide
CID 75392652
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1H-pyrrole-2-carboxamide
CID 75393659
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 97084171
3-acetamido-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)benzamide
CID 110793284
(2R,3S)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-methylmorpholine-3-carboxamide
CID 166238515
9-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993673
N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110779414
(E)-3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)prop-2-enoic acid
CID 82497233
2-(5-acetyl-2-methoxyphenyl)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)acetamide
CID 71907055
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-fluoro-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 68694369
2-amino-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-3-(3-fluoro-4-hydroxyphenyl)propanamide
CID 166293212

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide (CID 75392653) is N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C.
What is the InChIKey of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is AAFHTDXJGYZOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-9-14(17-8-22-9)16(21)18-11-5-6-13-12(7-11)19-15(20(13)2)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,18,21).
What are the key properties of N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide?
N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75392653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).