4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine

C14H10Cl2N2O2S — CID 80644994

IUPAC4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
SMILESCOc1ccc(Cl)cc1-c1c(-c2sccc2Cl)noc1N
InChIInChI=1S/C14H10Cl2N2O2S/c1-19-10-3-2-7(15)6-8(10)11-12(18-20-14(11)17)13-9(16)4-5-21-13/h2-6H,17H2,1H3
InChIKeyXVJLVRXMSPLDHU-UHFFFAOYSA-N
MW341.22 g/mol
LogP4.97
Rot. Bonds3

About 4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine

4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine (PubChem CID 80644994) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
PubChem CID80644994
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
SMILESCOc1ccc(Cl)cc1-c1c(-c2sccc2Cl)noc1N
InChIInChI=1S/C14H10Cl2N2O2S/c1-19-10-3-2-7(15)6-8(10)11-12(18-20-14(11)17)13-9(16)4-5-21-13/h2-6H,17H2,1H3
InChIKeyXVJLVRXMSPLDHU-UHFFFAOYSA-N
XLogP4.97
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine (CID 80644994) is 4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine is COc1ccc(Cl)cc1-c1c(-c2sccc2Cl)noc1N.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is XVJLVRXMSPLDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c1-19-10-3-2-7(15)6-8(10)11-12(18-20-14(11)17)13-9(16)4-5-21-13/h2-6H,17H2,1H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine?
4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 341.22 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 80644994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).