5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide

C20H20N4O2 — CID 60525157

IUPAC5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCCCn1c(NC(=O)C2=NOC(c3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C20H20N4O2/c1-2-12-24-17-11-7-6-10-15(17)21-20(24)22-19(25)16-13-18(26-23-16)14-8-4-3-5-9-14/h3-11,18H,2,12-13H2,1H3,(H,21,22,25)
InChIKeyHEWRAAWKBHSOKT-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.90
Rot. Bonds5

About 5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide

5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 60525157) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID60525157
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCCCn1c(NC(=O)C2=NOC(c3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C20H20N4O2/c1-2-12-24-17-11-7-6-10-15(17)21-20(24)22-19(25)16-13-18(26-23-16)14-8-4-3-5-9-14/h3-11,18H,2,12-13H2,1H3,(H,21,22,25)
InChIKeyHEWRAAWKBHSOKT-UHFFFAOYSA-N
XLogP3.90
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-propylbenzimidazol-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119179377
2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487608
tert-butyl 4-[(1-propylbenzimidazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 29322747
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
(3S)-1-oxo-N-(1-propylbenzimidazol-2-yl)-3,4-dihydroisochromene-3-carboxamide
CID 25324880
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642
2-[2-[(1-propylbenzimidazol-2-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119179376

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 60525157) is 5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide is CCCn1c(NC(=O)C2=NOC(c3ccccc3)C2)nc2ccccc21.
What is the InChIKey of 5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is HEWRAAWKBHSOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-12-24-17-11-7-6-10-15(17)21-20(24)22-19(25)16-13-18(26-23-16)14-8-4-3-5-9-14/h3-11,18H,2,12-13H2,1H3,(H,21,22,25).
What are the key properties of 5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide?
5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(1-propylbenzimidazol-2-yl)-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60525157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).