5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide

C20H18N4O2 — CID 42532895

IUPAC5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(Cn2cnc3ccccc32)on1
InChIInChI=1S/C20H18N4O2/c25-20(21-11-10-15-6-2-1-3-7-15)18-12-16(26-23-18)13-24-14-22-17-8-4-5-9-19(17)24/h1-9,12,14H,10-11,13H2,(H,21,25)
InChIKeyVABNPHZNFZWLRX-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.05
Rot. Bonds6

About 5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 42532895) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID42532895
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(Cn2cnc3ccccc32)on1
InChIInChI=1S/C20H18N4O2/c25-20(21-11-10-15-6-2-1-3-7-15)18-12-16(26-23-18)13-24-14-22-17-8-4-5-9-19(17)24/h1-9,12,14H,10-11,13H2,(H,21,25)
InChIKeyVABNPHZNFZWLRX-UHFFFAOYSA-N
XLogP3.05
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-oxoquinazolin-3-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63577398
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-1,2-oxazole-3-carboxamide
CID 95194034
N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 91949588
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
1-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
CID 110911543
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 53110220
3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 36842954
N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23857003
5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56750239
N-[2-[[3-(benzimidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 155516452
5-(benzimidazol-1-ylmethyl)thiophene-2-carboxylic acid
CID 63378048

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (CID 42532895) is 5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is O=C(NCCc1ccccc1)c1cc(Cn2cnc3ccccc32)on1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VABNPHZNFZWLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-20(21-11-10-15-6-2-1-3-7-15)18-12-16(26-23-18)13-24-14-22-17-8-4-5-9-19(17)24/h1-9,12,14H,10-11,13H2,(H,21,25).
What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42532895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).