3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine

C19H24N2OS — CID 141063338

IUPAC3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2C(C)CCc2ccccc2)s1
InChIInChI=1S/C19H24N2OS/c1-3-16-11-12-18(23-16)17-13-19(20)22-21(17)14(2)9-10-15-7-5-4-6-8-15/h4-8,11-14,17H,3,9-10,20H2,1-2H3
InChIKeyAFKGWOXUZYYAGA-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.42
Rot. Bonds6

About 3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine

3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063338) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063338
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2C(C)CCc2ccccc2)s1
InChIInChI=1S/C19H24N2OS/c1-3-16-11-12-18(23-16)17-13-19(20)22-21(17)14(2)9-10-15-7-5-4-6-8-15/h4-8,11-14,17H,3,9-10,20H2,1-2H3
InChIKeyAFKGWOXUZYYAGA-UHFFFAOYSA-N
XLogP4.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine (CID 141063338) is 3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine is CCc1ccc(C2C=C(N)ON2C(C)CCc2ccccc2)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is AFKGWOXUZYYAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-3-16-11-12-18(23-16)17-13-19(20)22-21(17)14(2)9-10-15-7-5-4-6-8-15/h4-8,11-14,17H,3,9-10,20H2,1-2H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine?
3-(5-ethylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 328.48 g/mol, XLogP of 4.42, 6 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-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).