4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine

C15H12Cl2N2OS — CID 65239414

IUPAC4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2c(Cl)cccc2Cl)sc1C
InChIInChI=1S/C15H12Cl2N2OS/c1-7-6-11(21-8(7)2)14-13(15(18)20-19-14)12-9(16)4-3-5-10(12)17/h3-6H,18H2,1-2H3
InChIKeyBWAVXAPVVFXGAK-UHFFFAOYSA-N
MW339.25 g/mol
LogP5.58
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine

4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine (PubChem CID 65239414) has the molecular formula C15H12Cl2N2OS and a molecular weight of 339.25 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine
PubChem CID65239414
Molecular FormulaC15H12Cl2N2OS
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2c(Cl)cccc2Cl)sc1C
InChIInChI=1S/C15H12Cl2N2OS/c1-7-6-11(21-8(7)2)14-13(15(18)20-19-14)12-9(16)4-3-5-10(12)17/h3-6H,18H2,1-2H3
InChIKeyBWAVXAPVVFXGAK-UHFFFAOYSA-N
XLogP5.58
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.25
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine (CID 65239414) is 4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2-c2c(Cl)cccc2Cl)sc1C.
What is the InChIKey of 4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is BWAVXAPVVFXGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2OS/c1-7-6-11(21-8(7)2)14-13(15(18)20-19-14)12-9(16)4-3-5-10(12)17/h3-6H,18H2,1-2H3.
What are the key properties of 4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine?
4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 339.25 g/mol, XLogP of 5.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 65239414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).