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

C15H10Cl2N2O — CID 4798838

IUPACN-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine
SMILESClc1ccc(-c2cnc(Nc3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C15H10Cl2N2O/c16-11-6-4-10(5-7-11)14-9-18-15(20-14)19-13-3-1-2-12(17)8-13/h1-9H,(H,18,19)
InChIKeySUSKUILTDSGCCT-UHFFFAOYSA-N
MW305.16 g/mol
LogP5.39
Rot. Bonds3

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

N-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine (PubChem CID 4798838) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine
PubChem CID4798838
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC NameN-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine
SMILESClc1ccc(-c2cnc(Nc3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C15H10Cl2N2O/c16-11-6-4-10(5-7-11)14-9-18-15(20-14)19-13-3-1-2-12(17)8-13/h1-9H,(H,18,19)
InChIKeySUSKUILTDSGCCT-UHFFFAOYSA-N
XLogP5.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.16
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine (CID 4798838) is N-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine is Clc1ccc(-c2cnc(Nc3cccc(Cl)c3)o2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine?
The InChIKey is SUSKUILTDSGCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-11-6-4-10(5-7-11)14-9-18-15(20-14)19-13-3-1-2-12(17)8-13/h1-9H,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine?
N-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine has a molecular weight of 305.16 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(4-chlorophenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 4798838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).