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

C8H8N2OS — CID 28603408

IUPAC3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCc1ccsc1-c1cc(N)on1
InChIInChI=1S/C8H8N2OS/c1-5-2-3-12-8(5)6-4-7(9)11-10-6/h2-4H,9H2,1H3
InChIKeyVJLJWUAQRRCZHY-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.29
Rot. Bonds1

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

3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine (PubChem CID 28603408) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
PubChem CID28603408
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
SMILESCc1ccsc1-c1cc(N)on1
InChIInChI=1S/C8H8N2OS/c1-5-2-3-12-8(5)6-4-7(9)11-10-6/h2-4H,9H2,1H3
InChIKeyVJLJWUAQRRCZHY-UHFFFAOYSA-N
XLogP2.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine (CID 28603408) is 3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine is Cc1ccsc1-c1cc(N)on1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine?
The InChIKey is VJLJWUAQRRCZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-2-3-12-8(5)6-4-7(9)11-10-6/h2-4H,9H2,1H3.
What are the key properties of 3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine?
3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine has a molecular weight of 180.23 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 28603408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).