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

C25H20N4O2 — CID 24627824

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C25H20N4O2/c1-16-22(29-25(31-16)18-10-6-3-7-11-18)24(30)28-23(17-8-4-2-5-9-17)19-12-13-20-21(14-19)27-15-26-20/h2-15,23H,1H3,(H,26,27)(H,28,30)
InChIKeyPJDHPKYGZUYHMR-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.05
Rot. Bonds5

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

N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 24627824) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID24627824
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C25H20N4O2/c1-16-22(29-25(31-16)18-10-6-3-7-11-18)24(30)28-23(17-8-4-2-5-9-17)19-12-13-20-21(14-19)27-15-26-20/h2-15,23H,1H3,(H,26,27)(H,28,30)
InChIKeyPJDHPKYGZUYHMR-UHFFFAOYSA-N
XLogP5.05
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide (CID 24627824) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)NC(c1ccccc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is PJDHPKYGZUYHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-16-22(29-25(31-16)18-10-6-3-7-11-18)24(30)28-23(17-8-4-2-5-9-17)19-12-13-20-21(14-19)27-15-26-20/h2-15,23H,1H3,(H,26,27)(H,28,30).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24627824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).