1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine

C14H17ClN2O — CID 81169865

IUPAC1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine
SMILESCCCC(NCc1ccon1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O/c1-2-3-14(11-4-6-12(15)7-5-11)16-10-13-8-9-18-17-13/h4-9,14,16H,2-3,10H2,1H3
InChIKeyUVRNIXARFQGSAU-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.96
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine

1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine (PubChem CID 81169865) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine
PubChem CID81169865
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine
SMILESCCCC(NCc1ccon1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O/c1-2-3-14(11-4-6-12(15)7-5-11)16-10-13-8-9-18-17-13/h4-9,14,16H,2-3,10H2,1H3
InChIKeyUVRNIXARFQGSAU-UHFFFAOYSA-N
XLogP3.96
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
CID 43204940
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
N-(1,2-oxazol-3-ylmethyl)pentan-3-amine
CID 79002535
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]butan-1-amine
CID 63450778
1-(5-chlorothiophen-2-yl)-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
CID 115726395
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]butan-1-amine
CID 63795497
ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate
CID 79502591
1-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]butan-1-amine
CID 62992019
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
(1R)-1-(4-chlorophenyl)-N-methyl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 95351075
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine (CID 81169865) is 1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine is CCCC(NCc1ccon1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine?
The InChIKey is UVRNIXARFQGSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-2-3-14(11-4-6-12(15)7-5-11)16-10-13-8-9-18-17-13/h4-9,14,16H,2-3,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine?
1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine has a molecular weight of 264.76 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1,2-oxazol-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 81169865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).