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

C14H11ClN2O2S — CID 81122851

IUPAC4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
SMILESCOc1ccsc1-c1noc(N)c1-c1ccccc1Cl
InChIInChI=1S/C14H11ClN2O2S/c1-18-10-6-7-20-13(10)12-11(14(16)19-17-12)8-4-2-3-5-9(8)15/h2-7H,16H2,1H3
InChIKeyFJLOTEKXSNWMMY-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.31
Rot. Bonds3

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

4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine (PubChem CID 81122851) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
PubChem CID81122851
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
SMILESCOc1ccsc1-c1noc(N)c1-c1ccccc1Cl
InChIInChI=1S/C14H11ClN2O2S/c1-18-10-6-7-20-13(10)12-11(14(16)19-17-12)8-4-2-3-5-9(8)15/h2-7H,16H2,1H3
InChIKeyFJLOTEKXSNWMMY-UHFFFAOYSA-N
XLogP4.31
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine (CID 81122851) is 4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine is COc1ccsc1-c1noc(N)c1-c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is FJLOTEKXSNWMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-18-10-6-7-20-13(10)12-11(14(16)19-17-12)8-4-2-3-5-9(8)15/h2-7H,16H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine?
4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 306.77 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 81122851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).