3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine

C14H10Cl2N2OS — CID 107962857

IUPAC3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2cc(Cl)sc2Cl)noc1N
InChIInChI=1S/C14H10Cl2N2OS/c1-7-4-2-3-5-8(7)11-12(18-19-14(11)17)9-6-10(15)20-13(9)16/h2-6H,17H2,1H3
InChIKeyABEHVCLYXLLGFQ-UHFFFAOYSA-N
MW325.22 g/mol
LogP5.27
Rot. Bonds2

About 3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine

3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 107962857) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
PubChem CID107962857
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2cc(Cl)sc2Cl)noc1N
InChIInChI=1S/C14H10Cl2N2OS/c1-7-4-2-3-5-8(7)11-12(18-19-14(11)17)9-6-10(15)20-13(9)16/h2-6H,17H2,1H3
InChIKeyABEHVCLYXLLGFQ-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

Analyze 3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592
3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 62514498
3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 107988922
3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 106854737
3-(5-bromo-2-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157955
3-(4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157945
4-(2-chloro-6-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43158014
4-(2-chlorophenyl)-3-(5-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 62276503
4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63080317
4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670744
3-[5-amino-4-(2-methylphenyl)-1,2-oxazol-3-yl]-1H-pyridin-4-one
CID 136812387

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine (CID 107962857) is 3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is Cc1ccccc1-c1c(-c2cc(Cl)sc2Cl)noc1N.
What is the InChIKey of 3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is ABEHVCLYXLLGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c1-7-4-2-3-5-8(7)11-12(18-19-14(11)17)9-6-10(15)20-13(9)16/h2-6H,17H2,1H3.
What are the key properties of 3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine?
3-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-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-(2,5-dichlorothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107962857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).