N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine

C18H18N2O — CID 54228518

IUPACN-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine
SMILESCc1nc(-c2ccccc2)oc1N(C)Cc1ccccc1
InChIInChI=1S/C18H18N2O/c1-14-18(20(2)13-15-9-5-3-6-10-15)21-17(19-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeyQHOAWKSXZVHQBC-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.29
Rot. Bonds4

About N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine

N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine (PubChem CID 54228518) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine
PubChem CID54228518
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine
SMILESCc1nc(-c2ccccc2)oc1N(C)Cc1ccccc1
InChIInChI=1S/C18H18N2O/c1-14-18(20(2)13-15-9-5-3-6-10-15)21-17(19-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
InChIKeyQHOAWKSXZVHQBC-UHFFFAOYSA-N
XLogP4.29
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine?
The IUPAC name of N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine (CID 54228518) is N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine?
The canonical SMILES for N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine is Cc1nc(-c2ccccc2)oc1N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine?
The InChIKey is QHOAWKSXZVHQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-18(20(2)13-15-9-5-3-6-10-15)21-17(19-14)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine?
N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine has a molecular weight of 278.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,4-dimethyl-2-phenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 54228518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).