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

C16H13ClN2O — CID 62829610

IUPAC3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(-c3ccc(Cl)cc3)noc2N)c1
InChIInChI=1S/C16H13ClN2O/c1-10-3-2-4-12(9-10)14-15(19-20-16(14)18)11-5-7-13(17)8-6-11/h2-9H,18H2,1H3
InChIKeyJNPHDQLHKWUTFR-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.55
Rot. Bonds2

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

3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 62829610) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
PubChem CID62829610
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1cccc(-c2c(-c3ccc(Cl)cc3)noc2N)c1
InChIInChI=1S/C16H13ClN2O/c1-10-3-2-4-12(9-10)14-15(19-20-16(14)18)11-5-7-13(17)8-6-11/h2-9H,18H2,1H3
InChIKeyJNPHDQLHKWUTFR-UHFFFAOYSA-N
XLogP4.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 62829774
3-(4-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829957
3-(3-chloro-5-methylphenyl)-4-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 81316062
3-(2-chloro-6-fluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830824
4-(3-chlorophenyl)-3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-amine
CID 63213917
3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
4-(3-chlorophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 43157981
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 43335821
3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830128
3-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62828557
4-(3-methylphenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 62831172
3-(5-bromothiophen-2-yl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829426

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine (CID 62829610) is 3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine is Cc1cccc(-c2c(-c3ccc(Cl)cc3)noc2N)c1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is JNPHDQLHKWUTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-3-2-4-12(9-10)14-15(19-20-16(14)18)11-5-7-13(17)8-6-11/h2-9H,18H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine?
3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 284.75 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 62829610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).