5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine

C13H15ClN2O — CID 107101289

IUPAC5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cccc(Cl)c1C
InChIInChI=1S/C13H15ClN2O/c1-3-5-10-12(17-16-13(10)15)9-6-4-7-11(14)8(9)2/h4,6-7H,3,5H2,1-2H3,(H2,15,16)
InChIKeyHJZUVBXREQLDSK-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.84
Rot. Bonds3

About 5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine

5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 107101289) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID107101289
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cccc(Cl)c1C
InChIInChI=1S/C13H15ClN2O/c1-3-5-10-12(17-16-13(10)15)9-6-4-7-11(14)8(9)2/h4,6-7H,3,5H2,1-2H3,(H2,15,16)
InChIKeyHJZUVBXREQLDSK-UHFFFAOYSA-N
XLogP3.84
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine
CID 106690685
5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 107954850
5-(5-chlorofuran-2-yl)-4-propyl-1,2-oxazol-3-amine
CID 106690686
5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 81117241
5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79412173
5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66198805
5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411950
5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411963
5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411476
5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411623
5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 113296257
5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66199430

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine (CID 107101289) is 5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1cccc(Cl)c1C.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is HJZUVBXREQLDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-3-5-10-12(17-16-13(10)15)9-6-4-7-11(14)8(9)2/h4,6-7H,3,5H2,1-2H3,(H2,15,16).
What are the key properties of 5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 250.73 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 107101289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).