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

C15H10Cl2N2O — CID 66199527

IUPAC4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O/c16-11-5-1-9(2-6-11)13-14(20-19-15(13)18)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19)
InChIKeyKZOVGGMSTVUEFU-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.90
Rot. Bonds2

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

4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66199527) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
PubChem CID66199527
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O/c16-11-5-1-9(2-6-11)13-14(20-19-15(13)18)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19)
InChIKeyKZOVGGMSTVUEFU-UHFFFAOYSA-N
XLogP4.90
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
4-(4-chlorophenyl)-5-(2,3-dichlorophenyl)-1,2-oxazol-3-amine
CID 66200527
4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 82878283
5-(3-bromo-5-chlorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
CID 107954796
5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199506
4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine
CID 80538050
4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine
CID 104673131
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
5-(2-bromo-3-methylphenyl)-4-(4-chlorophenyl)-1,2-oxazol-3-amine
CID 107984272
5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199070
5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199313
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine (CID 66199527) is 4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is KZOVGGMSTVUEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-11-5-1-9(2-6-11)13-14(20-19-15(13)18)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19).
What are the key properties of 4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine?
4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 305.16 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).