[2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine

C9H10N2OS — CID 131203856

IUPAC[2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine
SMILESCc1cc(-c2nc(CN)co2)cs1
InChIInChI=1S/C9H10N2OS/c1-6-2-7(5-13-6)9-11-8(3-10)4-12-9/h2,4-5H,3,10H2,1H3
InChIKeyYOLSJZBUNOKFFQ-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.17
Rot. Bonds2

About [2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine

[2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 131203856) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is [2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID131203856
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name[2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine
SMILESCc1cc(-c2nc(CN)co2)cs1
InChIInChI=1S/C9H10N2OS/c1-6-2-7(5-13-6)9-11-8(3-10)4-12-9/h2,4-5H,3,10H2,1H3
InChIKeyYOLSJZBUNOKFFQ-UHFFFAOYSA-N
XLogP2.17
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine (CID 131203856) is [2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine is Cc1cc(-c2nc(CN)co2)cs1.
What is the InChIKey of [2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is YOLSJZBUNOKFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-6-2-7(5-13-6)9-11-8(3-10)4-12-9/h2,4-5H,3,10H2,1H3.
What are the key properties of [2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine?
[2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 194.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-3-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 131203856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).