3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine

C15H19ClN2O — CID 65187513

IUPAC3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H19ClN2O/c1-11(2)17-9-5-8-15-18-10-14(19-15)12-6-3-4-7-13(12)16/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3
InChIKeyCLMBUHNAWMZKJZ-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.93
Rot. Bonds6

About 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 65187513) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID65187513
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1ncc(-c2ccccc2Cl)o1
InChIInChI=1S/C15H19ClN2O/c1-11(2)17-9-5-8-15-18-10-14(19-15)12-6-3-4-7-13(12)16/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3
InChIKeyCLMBUHNAWMZKJZ-UHFFFAOYSA-N
XLogP3.93
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-Chlorophenyl)-5-phenyl-1,3-oxazole
CID 259756
2-(4-Chlorophenyl)-5-phenyl-1,3-oxazole
CID 259758
2-Cyclohexyl-5-phenyloxazole
CID 87832
2-(Chloromethyl)-5-(4-chlorophenyl)-1,3-oxazole
CID 736966
2-Methyl-5-Phenyl-1,3-Oxazole
CID 248491
7-[5-[4-(4-chlorophenyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxyheptanamide
CID 9952732
(S)-2-(1-((S)-1-carboxy-2-(5-(4-chlorophenyl)oxazol-2-yl)ethylcarbamoyl)cyclopentylamino)-4-methoxybutanoic acid
CID 54587647
N-methyl-2-oxo-8-(2-phenyl-1,3-oxazol-5-yl)octanamide
CID 44349719
5-(4-Chlorophenyl)-1,3-oxazole
CID 12871523
2-(Chloromethyl)-5-phenyl-1,3-oxazole
CID 2307654
3-[5-(4-Chlorophenyl)-1,3-oxazol-2-yl]propanoic acid
CID 16044717
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((5-phenyl-2-oxazolyl)methyl)amino)-
CID 454392

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 65187513) is 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1ncc(-c2ccccc2Cl)o1.
What is the InChIKey of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is CLMBUHNAWMZKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-11(2)17-9-5-8-15-18-10-14(19-15)12-6-3-4-7-13(12)16/h3-4,6-7,10-11,17H,5,8-9H2,1-2H3.
What are the key properties of 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 278.78 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 65187513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).