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

C14H10Cl2N2OS — CID 66199218

IUPAC4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C14H10Cl2N2OS/c1-7-2-5-11(20-7)13-12(14(17)18-19-13)8-3-4-9(15)10(16)6-8/h2-6H,1H3,(H2,17,18)
InChIKeyBYYVBMXITCONNF-UHFFFAOYSA-N
MW325.22 g/mol
LogP5.27
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 66199218) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID66199218
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2onc(N)c2-c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C14H10Cl2N2OS/c1-7-2-5-11(20-7)13-12(14(17)18-19-13)8-3-4-9(15)10(16)6-8/h2-6H,1H3,(H2,17,18)
InChIKeyBYYVBMXITCONNF-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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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine (CID 66199218) is 4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine is Cc1ccc(-c2onc(N)c2-c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is BYYVBMXITCONNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c1-7-2-5-11(20-7)13-12(14(17)18-19-13)8-3-4-9(15)10(16)6-8/h2-6H,1H3,(H2,17,18).
What are the key properties of 4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine?
4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-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 4-(3,4-dichlorophenyl)-5-(5-methylthiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).