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

C13H8Cl2N2OS — CID 80642541

IUPAC4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2sccc2Cl)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H8Cl2N2OS/c14-8-3-1-2-7(6-8)10-11(18-17-13(10)16)12-9(15)4-5-19-12/h1-6H,(H2,16,17)
InChIKeyLPRZOEYYKIJBOZ-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.96
Rot. Bonds2

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

4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 80642541) has the molecular formula C13H8Cl2N2OS and a molecular weight of 311.19 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID80642541
Molecular FormulaC13H8Cl2N2OS
Molecular Weight311.19 g/mol
Exact Mass309.97
IUPAC Name4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2sccc2Cl)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H8Cl2N2OS/c14-8-3-1-2-7(6-8)10-11(18-17-13(10)16)12-9(15)4-5-19-12/h1-6H,(H2,16,17)
InChIKeyLPRZOEYYKIJBOZ-UHFFFAOYSA-N
XLogP4.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-5-thiophen-3-yl-1,2-oxazol-3-amine
CID 66200502
4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
CID 80738631
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
5-(5-chloro-2-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66197900
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200703
4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198897
5-(2-bromofuran-3-yl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 106856445
5-(2-bromo-5-fluorophenyl)-4-(3-chlorophenyl)-1,2-oxazol-3-amine
CID 66199097
5-(2,6-dichlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198577
5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
CID 103406964
5-(3-chlorophenyl)-4-ethyl-1,2-oxazol-3-amine
CID 66199430

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine (CID 80642541) is 4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine is Nc1noc(-c2sccc2Cl)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is LPRZOEYYKIJBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2OS/c14-8-3-1-2-7(6-8)10-11(18-17-13(10)16)12-9(15)4-5-19-12/h1-6H,(H2,16,17).
What are the key properties of 4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine?
4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine has a molecular weight of 311.19 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 80642541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).