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

C15H15ClN2OS — CID 91570787

IUPAC3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine
SMILESNC1C=C(c2ccc(Cl)s2)N(CCc2ccccc2)O1
InChIInChI=1S/C15H15ClN2OS/c16-14-7-6-13(20-14)12-10-15(17)19-18(12)9-8-11-4-2-1-3-5-11/h1-7,10,15H,8-9,17H2
InChIKeySHAZZWGSQQODSB-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.52
Rot. Bonds4

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

3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine (PubChem CID 91570787) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine
PubChem CID91570787
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine
SMILESNC1C=C(c2ccc(Cl)s2)N(CCc2ccccc2)O1
InChIInChI=1S/C15H15ClN2OS/c16-14-7-6-13(20-14)12-10-15(17)19-18(12)9-8-11-4-2-1-3-5-11/h1-7,10,15H,8-9,17H2
InChIKeySHAZZWGSQQODSB-UHFFFAOYSA-N
XLogP3.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorothiophen-2-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1,2-oxazol-5-amine
CID 141063492
3-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
CID 154453578
3-(5-chlorothiophen-2-yl)-2-[(3-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
CID 154453584
2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90693066
3-(5-chlorothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
CID 90721100
3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
CID 90815879
3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine
CID 91001426
3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91386226
2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91449845
3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine
CID 141063238
2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063262
3-(5-chlorothiophen-2-yl)-2-[2-(cyclohexen-1-yl)ethyl]-3H-1,2-oxazol-5-amine
CID 141063355

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine (CID 91570787) is 3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine is NC1C=C(c2ccc(Cl)s2)N(CCc2ccccc2)O1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine?
The InChIKey is SHAZZWGSQQODSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-14-7-6-13(20-14)12-10-15(17)19-18(12)9-8-11-4-2-1-3-5-11/h1-7,10,15H,8-9,17H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine has a molecular weight of 306.82 g/mol, XLogP of 3.52, 4 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-(2-phenylethyl)-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 91570787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).