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

C8H7ClN2OS — CID 80645378

IUPAC3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
SMILESCc1c(-c2sccc2Cl)noc1N
InChIInChI=1S/C8H7ClN2OS/c1-4-6(11-12-8(4)10)7-5(9)2-3-13-7/h2-3H,10H2,1H3
InChIKeyAMXHFWHQGRWIDE-UHFFFAOYSA-N
MW214.68 g/mol
LogP2.95
Rot. Bonds1

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

3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine (PubChem CID 80645378) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
PubChem CID80645378
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
SMILESCc1c(-c2sccc2Cl)noc1N
InChIInChI=1S/C8H7ClN2OS/c1-4-6(11-12-8(4)10)7-5(9)2-3-13-7/h2-3H,10H2,1H3
InChIKeyAMXHFWHQGRWIDE-UHFFFAOYSA-N
XLogP2.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine (CID 80645378) is 3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine is Cc1c(-c2sccc2Cl)noc1N.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine?
The InChIKey is AMXHFWHQGRWIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c1-4-6(11-12-8(4)10)7-5(9)2-3-13-7/h2-3H,10H2,1H3.
What are the key properties of 3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine?
3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine has a molecular weight of 214.68 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 80645378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).