N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide

C20H17N3O2 — CID 39858071

IUPACN-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C20H17N3O2/c1-14-18(19(22-25-14)17-6-4-3-5-7-17)20(24)23(2)13-16-10-8-15(12-21)9-11-16/h3-11H,13H2,1-2H3
InChIKeyRYZQTPJGZXJESD-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.79
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide

N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 39858071) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID39858071
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N(C)Cc1ccc(C#N)cc1
InChIInChI=1S/C20H17N3O2/c1-14-18(19(22-25-14)17-6-4-3-5-7-17)20(24)23(2)13-16-10-8-15(12-21)9-11-16/h3-11H,13H2,1-2H3
InChIKeyRYZQTPJGZXJESD-UHFFFAOYSA-N
XLogP3.79
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 39858071) is N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N(C)Cc1ccc(C#N)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is RYZQTPJGZXJESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-14-18(19(22-25-14)17-6-4-3-5-7-17)20(24)23(2)13-16-10-8-15(12-21)9-11-16/h3-11H,13H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39858071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).