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

C17H15ClN2O — CID 66207019

IUPAC4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(C)cc(-c2onc(N)c2-c2ccccc2Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-10-7-11(2)9-12(8-10)16-15(17(19)20-21-16)13-5-3-4-6-14(13)18/h3-9H,1-2H3,(H2,19,20)
InChIKeyVIVXPLOTHXXGBY-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.86
Rot. Bonds2

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

4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine (PubChem CID 66207019) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
PubChem CID66207019
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(C)cc(-c2onc(N)c2-c2ccccc2Cl)c1
InChIInChI=1S/C17H15ClN2O/c1-10-7-11(2)9-12(8-10)16-15(17(19)20-21-16)13-5-3-4-6-14(13)18/h3-9H,1-2H3,(H2,19,20)
InChIKeyVIVXPLOTHXXGBY-UHFFFAOYSA-N
XLogP4.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66204374
5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine
CID 107954780
4-(2-chlorophenyl)-5-(2,6-dichlorophenyl)-1,2-oxazol-3-amine
CID 66205609
4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66205607
5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 81324835
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
5-(3,5-dimethylphenyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66198077
4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66200150
4-(2-chlorophenyl)-5-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66206213
4-(2-methylphenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66205199
5-(2-chlorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66198805

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine (CID 66207019) is 4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine is Cc1cc(C)cc(-c2onc(N)c2-c2ccccc2Cl)c1.
What is the InChIKey of 4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine?
The InChIKey is VIVXPLOTHXXGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-10-7-11(2)9-12(8-10)16-15(17(19)20-21-16)13-5-3-4-6-14(13)18/h3-9H,1-2H3,(H2,19,20).
What are the key properties of 4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine?
4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine has a molecular weight of 298.77 g/mol, XLogP of 4.86, 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-(3,5-dimethylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66207019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).