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

C13H14N2OS2 — CID 141063413

IUPAC3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine
SMILESCc1ccc(C2C=C(N)ON2Cc2cccs2)s1
InChIInChI=1S/C13H14N2OS2/c1-9-4-5-12(18-9)11-7-13(14)16-15(11)8-10-3-2-6-17-10/h2-7,11H,8,14H2,1H3
InChIKeyVPVJUTDUCCSNHH-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.41
Rot. Bonds3

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

3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine (PubChem CID 141063413) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine
PubChem CID141063413
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine
SMILESCc1ccc(C2C=C(N)ON2Cc2cccs2)s1
InChIInChI=1S/C13H14N2OS2/c1-9-4-5-12(18-9)11-7-13(14)16-15(11)8-10-3-2-6-17-10/h2-7,11H,8,14H2,1H3
InChIKeyVPVJUTDUCCSNHH-UHFFFAOYSA-N
XLogP3.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063401
2-[(3-fluorophenyl)methyl]-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 154397935
1-hydroxy-1-[1-[5-[(E)-2-thiophen-2-ylethenyl]thiophen-2-yl]ethyl]urea
CID 19780488
1-Hydroxy-1-[1-[5-(2-thiophen-2-ylethenyl)thiophen-2-yl]ethyl]urea
CID 53885192
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90705322
2-butan-2-yl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91296324
2-(3-methoxypropyl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063207
2-(3-methylbutan-2-yl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063236
3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063247
2-(1-methoxypropan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063252
2-(2-methylcyclohexyl)-3-(3-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063256
2-(6-methylheptan-2-yl)-3-(5-methylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063274

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine (CID 141063413) is 3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine is Cc1ccc(C2C=C(N)ON2Cc2cccs2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine?
The InChIKey is VPVJUTDUCCSNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-9-4-5-12(18-9)11-7-13(14)16-15(11)8-10-3-2-6-17-10/h2-7,11H,8,14H2,1H3.
What are the key properties of 3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine?
3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine has a molecular weight of 278.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).