N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine

C16H20N2O — CID 90858974

IUPACN-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine
SMILESCc1cc(N(CC2CCCC2)c2ccccc2)no1
InChIInChI=1S/C16H20N2O/c1-13-11-16(17-19-13)18(12-14-7-5-6-8-14)15-9-3-2-4-10-15/h2-4,9-11,14H,5-8,12H2,1H3
InChIKeyXDAWUKMOOKPGBF-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.31
Rot. Bonds4

About N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine

N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine (PubChem CID 90858974) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine
PubChem CID90858974
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine
SMILESCc1cc(N(CC2CCCC2)c2ccccc2)no1
InChIInChI=1S/C16H20N2O/c1-13-11-16(17-19-13)18(12-14-7-5-6-8-14)15-9-3-2-4-10-15/h2-4,9-11,14H,5-8,12H2,1H3
InChIKeyXDAWUKMOOKPGBF-UHFFFAOYSA-N
XLogP4.31
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-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-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine?
The IUPAC name of N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine (CID 90858974) is N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine is Cc1cc(N(CC2CCCC2)c2ccccc2)no1.
What is the InChIKey of N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine?
The InChIKey is XDAWUKMOOKPGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-11-16(17-19-13)18(12-14-7-5-6-8-14)15-9-3-2-4-10-15/h2-4,9-11,14H,5-8,12H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine?
N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine has a molecular weight of 256.35 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-methyl-N-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 90858974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).