3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine

C14H22N2OS — CID 141063286

IUPAC3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2C(C)C(C)C)s1
InChIInChI=1S/C14H22N2OS/c1-5-11-6-7-13(18-11)12-8-14(15)17-16(12)10(4)9(2)3/h6-10,12H,5,15H2,1-4H3
InChIKeyQPVYIEDHFOSTPS-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.44
Rot. Bonds4

About 3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine

3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063286) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063286
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2C(C)C(C)C)s1
InChIInChI=1S/C14H22N2OS/c1-5-11-6-7-13(18-11)12-8-14(15)17-16(12)10(4)9(2)3/h6-10,12H,5,15H2,1-4H3
InChIKeyQPVYIEDHFOSTPS-UHFFFAOYSA-N
XLogP3.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine (CID 141063286) is 3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine is CCc1ccc(C2C=C(N)ON2C(C)C(C)C)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is QPVYIEDHFOSTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-5-11-6-7-13(18-11)12-8-14(15)17-16(12)10(4)9(2)3/h6-10,12H,5,15H2,1-4H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine?
3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 266.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-2-(3-methylbutan-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).