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

C14H22N2OS — CID 141063388

IUPAC3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine
SMILESCCCC(C)N1OC(N)=CC1c1ccc(CC)s1
InChIInChI=1S/C14H22N2OS/c1-4-6-10(3)16-12(9-14(15)17-16)13-8-7-11(5-2)18-13/h7-10,12H,4-6,15H2,1-3H3
InChIKeyJVOHYJWLMHBEGV-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.59
Rot. Bonds5

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

3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine (PubChem CID 141063388) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine
PubChem CID141063388
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine
SMILESCCCC(C)N1OC(N)=CC1c1ccc(CC)s1
InChIInChI=1S/C14H22N2OS/c1-4-6-10(3)16-12(9-14(15)17-16)13-8-7-11(5-2)18-13/h7-10,12H,4-6,15H2,1-3H3
InChIKeyJVOHYJWLMHBEGV-UHFFFAOYSA-N
XLogP3.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.59
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-pentan-2-yl-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine (CID 141063388) is 3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine is CCCC(C)N1OC(N)=CC1c1ccc(CC)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine?
The InChIKey is JVOHYJWLMHBEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-6-10(3)16-12(9-14(15)17-16)13-8-7-11(5-2)18-13/h7-10,12H,4-6,15H2,1-3H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine?
3-(5-ethylthiophen-2-yl)-2-pentan-2-yl-3H-1,2-oxazol-5-amine has a molecular weight of 266.41 g/mol, XLogP of 3.59, 5 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-pentan-2-yl-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).