2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine

C14H17ClN2O — CID 82140353

IUPAC2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
SMILESCc1noc(C)c1CC(CN)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-9-13(10(2)18-17-9)7-11(8-16)12-5-3-4-6-14(12)15/h3-6,11H,7-8,16H2,1-2H3
InChIKeyHQPGKJIVEAZMJF-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine

2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine (PubChem CID 82140353) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
PubChem CID82140353
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
SMILESCc1noc(C)c1CC(CN)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-9-13(10(2)18-17-9)7-11(8-16)12-5-3-4-6-14(12)15/h3-6,11H,7-8,16H2,1-2H3
InChIKeyHQPGKJIVEAZMJF-UHFFFAOYSA-N
XLogP3.23
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 82140382
1-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethanol
CID 47559752
2-(2-chlorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182315
2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82872011
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43019628
3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 106271749
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
CID 79448884
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
3-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 102619974
[(1R)-1-(2-chlorophenyl)ethyl] 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetate
CID 7399133
(3S)-4-amino-3-(2-chlorophenyl)butanal
CID 170430906
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine (CID 82140353) is 2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine is Cc1noc(C)c1CC(CN)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine?
The InChIKey is HQPGKJIVEAZMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-9-13(10(2)18-17-9)7-11(8-16)12-5-3-4-6-14(12)15/h3-6,11H,7-8,16H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine?
2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine has a molecular weight of 264.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine is sourced from PubChem (CID 82140353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).