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

C14H10Cl2N2OS — CID 103402471

IUPAC3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
SMILESCc1csc(-c2noc(N)c2-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C14H10Cl2N2OS/c1-7-6-20-13(11(7)16)12-10(14(17)19-18-12)8-2-4-9(15)5-3-8/h2-6H,17H2,1H3
InChIKeyCNDDVIFRARQBTK-UHFFFAOYSA-N
MW325.22 g/mol
LogP5.27
Rot. Bonds2

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

3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine (PubChem CID 103402471) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
PubChem CID103402471
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
SMILESCc1csc(-c2noc(N)c2-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C14H10Cl2N2OS/c1-7-6-20-13(11(7)16)12-10(14(17)19-18-12)8-2-4-9(15)5-3-8/h2-6H,17H2,1H3
InChIKeyCNDDVIFRARQBTK-UHFFFAOYSA-N
XLogP5.27
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.22
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
CID 103402516
4-(4-chlorophenyl)-3-(2,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 43335821
3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine
CID 80645292
5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 103407055
5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
CID 103406964
3-(4-chlorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829610
3-(3-chlorothiophen-2-yl)-4-(4-ethoxyphenyl)-1,2-oxazol-5-amine
CID 80645079
3-(3-methoxythiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 81121771
3-(4-fluoro-3-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 57417818
3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 81291675
4-(4-chlorophenyl)-3-(2,5-difluorophenyl)-1,2-oxazol-5-amine
CID 43335828
4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122721

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine (CID 103402471) is 3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine is Cc1csc(-c2noc(N)c2-c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine?
The InChIKey is CNDDVIFRARQBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c1-7-6-20-13(11(7)16)12-10(14(17)19-18-12)8-2-4-9(15)5-3-8/h2-6H,17H2,1H3.
What are the key properties of 3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine?
3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine has a molecular weight of 325.22 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 103402471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).