5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

C13H8Cl2N2OS — CID 66200386

IUPAC5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)c(Cl)c2)c1-c1cccs1
InChIInChI=1S/C13H8Cl2N2OS/c14-8-4-3-7(6-9(8)15)12-11(13(16)17-18-12)10-2-1-5-19-10/h1-6H,(H2,16,17)
InChIKeyGMMSNSWGTBPSBD-UHFFFAOYSA-N
MW311.19 g/mol
LogP4.96
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66200386) has the molecular formula C13H8Cl2N2OS and a molecular weight of 311.19 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66200386
Molecular FormulaC13H8Cl2N2OS
Molecular Weight311.19 g/mol
Exact Mass309.97
IUPAC Name5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Cl)c(Cl)c2)c1-c1cccs1
InChIInChI=1S/C13H8Cl2N2OS/c14-8-4-3-7(6-9(8)15)12-11(13(16)17-18-12)10-2-1-5-19-10/h1-6H,(H2,16,17)
InChIKeyGMMSNSWGTBPSBD-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

5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200393
5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 80739587
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
4-(3,5-difluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 66203231
4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 80525813
4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66199218
5-(2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199577
5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199576
5-(2,5-difluorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199984
4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 82808433
5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198188
4-(3,4-dichlorophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 66198818

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 66200386) is 5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Cl)c(Cl)c2)c1-c1cccs1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is GMMSNSWGTBPSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2OS/c14-8-4-3-7(6-9(8)15)12-11(13(16)17-18-12)10-2-1-5-19-10/h1-6H,(H2,16,17).
What are the key properties of 5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-(3,4-dichlorophenyl)-4-thiophen-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 5-(3,4-dichlorophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).