N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C20H18N4O2 — CID 25373344

IUPACN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N4O2/c1-12(19-22-15-10-6-7-11-16(15)23-19)21-20(25)17-13(2)26-24-18(17)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,25)(H,22,23)/t12-/m1/s1
InChIKeyVJHROJIUNHRNMD-GFCCVEGCSA-N
MW346.39 g/mol
LogP4.02
Rot. Bonds4

About N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 25373344) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID25373344
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N4O2/c1-12(19-22-15-10-6-7-11-16(15)23-19)21-20(25)17-13(2)26-24-18(17)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,25)(H,22,23)/t12-/m1/s1
InChIKeyVJHROJIUNHRNMD-GFCCVEGCSA-N
XLogP4.02
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18110349
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CID 17330097
5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide
CID 40819505
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
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N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylfuran-2-carboxamide
CID 47120283
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 167797492
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-chloro-6-fluorobenzamide
CID 60592461

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 25373344) is N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is VJHROJIUNHRNMD-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12(19-22-15-10-6-7-11-16(15)23-19)21-20(25)17-13(2)26-24-18(17)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,25)(H,22,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25373344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).