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

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Related Compounds

N-(5-methyl-3-isoxazolyl)-5-oxo-1-phenyl-3-pyrrolidinecarboxamide
CID 2964340
N-benzyl-5-methyl-1,2-oxazol-3-amine
CID 2726693
1-[[Benzyl(methyl)amino]methyl]-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)imidazol-2-one
CID 51095898
N-(5-methyl-1,2-oxazol-3-yl)-N-(2-phenylprop-2-enyl)hydroxylamine
CID 57394661
5-methyl-N-[(4-nitrophenyl)methyl]-1,2-oxazol-3-amine
CID 73355555
5-methyl-N-[(2-nitrophenyl)methyl]-1,2-oxazol-3-amine
CID 73357101
5-methyl-N-phenyl-1,2-oxazol-3-amine
CID 85978394
(5E)-2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 5467981
N-[(3-amino-2,6-difluorophenyl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 68481555
N-cyclobutyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 90687614
N-cyclopentyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 90779895
N-cyclopropyl-N-(3-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 90866638

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).