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

C17H19ClN2OS — CID 141063425

IUPAC3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCC(CCc1ccccc1)N1OC(N)=CC1c1ccc(Cl)s1
InChIInChI=1S/C17H19ClN2OS/c1-12(7-8-13-5-3-2-4-6-13)20-14(11-17(19)21-20)15-9-10-16(18)22-15/h2-6,9-12,14H,7-8,19H2,1H3
InChIKeyHBDRRZAMGBDKMJ-UHFFFAOYSA-N
MW334.87 g/mol
LogP4.51
Rot. Bonds5

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

3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine (PubChem CID 141063425) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
PubChem CID141063425
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
SMILESCC(CCc1ccccc1)N1OC(N)=CC1c1ccc(Cl)s1
InChIInChI=1S/C17H19ClN2OS/c1-12(7-8-13-5-3-2-4-6-13)20-14(11-17(19)21-20)15-9-10-16(18)22-15/h2-6,9-12,14H,7-8,19H2,1H3
InChIKeyHBDRRZAMGBDKMJ-UHFFFAOYSA-N
XLogP4.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine (CID 141063425) is 3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine is CC(CCc1ccccc1)N1OC(N)=CC1c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine?
The InChIKey is HBDRRZAMGBDKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-12(7-8-13-5-3-2-4-6-13)20-14(11-17(19)21-20)15-9-10-16(18)22-15/h2-6,9-12,14H,7-8,19H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine has a molecular weight of 334.87 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).