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

C16H13ClN2O — CID 66204374

IUPAC4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClN2O/c1-10-6-8-11(9-7-10)15-14(16(18)19-20-15)12-4-2-3-5-13(12)17/h2-9H,1H3,(H2,18,19)
InChIKeySPQAAMMOMDHCMR-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.55
Rot. Bonds2

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

4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66204374) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66204374
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccccc2Cl)cc1
InChIInChI=1S/C16H13ClN2O/c1-10-6-8-11(9-7-10)15-14(16(18)19-20-15)12-4-2-3-5-13(12)17/h2-9H,1H3,(H2,18,19)
InChIKeySPQAAMMOMDHCMR-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-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66207019
4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66205607
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66204576
4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
CID 66205609
5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199506
5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine
CID 107954780
4-(2-chlorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66206213
4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204991
5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66198805
4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 82793122
5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66205001

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine (CID 66204374) is 4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2onc(N)c2-c2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is SPQAAMMOMDHCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-6-8-11(9-7-10)15-14(16(18)19-20-15)12-4-2-3-5-13(12)17/h2-9H,1H3,(H2,18,19).
What are the key properties of 4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine?
4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-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 4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66204374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).