(5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C17H14N4O2 — CID 95772115

IUPAC(5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc2[nH]cnc12)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H14N4O2/c22-17(20-13-8-4-7-12-16(13)19-10-18-12)14-9-15(23-21-14)11-5-2-1-3-6-11/h1-8,10,15H,9H2,(H,18,19)(H,20,22)/t15-/m1/s1
InChIKeyMKPVFKPZSLFNJH-OAHLLOKOSA-N
MW306.32 g/mol
LogP3.02
Rot. Bonds3

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

(5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 95772115) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is (5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID95772115
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name(5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccc2[nH]cnc12)C1=NO[C@@H](c2ccccc2)C1
InChIInChI=1S/C17H14N4O2/c22-17(20-13-8-4-7-12-16(13)19-10-18-12)14-9-15(23-21-14)11-5-2-1-3-6-11/h1-8,10,15H,9H2,(H,18,19)(H,20,22)/t15-/m1/s1
InChIKeyMKPVFKPZSLFNJH-OAHLLOKOSA-N
XLogP3.02
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 95772115) is (5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(Nc1cccc2[nH]cnc12)C1=NO[C@@H](c2ccccc2)C1.
What is the InChIKey of (5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is MKPVFKPZSLFNJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-17(20-13-8-4-7-12-16(13)19-10-18-12)14-9-15(23-21-14)11-5-2-1-3-6-11/h1-8,10,15H,9H2,(H,18,19)(H,20,22)/t15-/m1/s1.
What are the key properties of (5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(1H-benzimidazol-4-yl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95772115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).