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

C21H19ClN2OS — CID 141063238

IUPAC3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Cl)s2)N(C(Cc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C21H19ClN2OS/c22-20-12-11-19(26-20)18-14-21(23)25-24(18)17(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-12,14,17-18H,13,23H2
InChIKeyVFMUDIWEBLQFTK-UHFFFAOYSA-N
MW382.92 g/mol
LogP5.47
Rot. Bonds5

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

3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine (PubChem CID 141063238) has the molecular formula C21H19ClN2OS and a molecular weight of 382.92 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine
PubChem CID141063238
Molecular FormulaC21H19ClN2OS
Molecular Weight382.92 g/mol
Exact Mass382.09
IUPAC Name3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Cl)s2)N(C(Cc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C21H19ClN2OS/c22-20-12-11-19(26-20)18-14-21(23)25-24(18)17(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-12,14,17-18H,13,23H2
InChIKeyVFMUDIWEBLQFTK-UHFFFAOYSA-N
XLogP5.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.92
LogP ≤ 55.47
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
2-[(3,4-difluorophenyl)methyl]-3-(5-ethylthiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063496
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
3-(5-ethylthiophen-2-yl)-2-[(2-fluorophenyl)methyl]-3H-1,2-oxazol-5-amine
CID 154453617
3-(5-chlorothiophen-2-yl)-2-(2-phenylethyl)-5H-1,2-oxazol-5-amine
CID 91570787
N-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-1-phenylmethanamine
CID 137518455
3-(5-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine
CID 141063203
3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine
CID 141063228
3-(3-methylthiophen-2-yl)-2-(4-phenylbutan-2-yl)-3H-1,2-oxazol-5-amine
CID 141063247
3-(5-chlorothiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-3H-1,2-oxazol-5-amine
CID 141063255
2-(1-benzylpiperidin-4-yl)-3-(5-chlorothiophen-2-yl)-3H-1,2-oxazol-5-amine
CID 141063262

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine (CID 141063238) is 3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine is NC1=CC(c2ccc(Cl)s2)N(C(Cc2ccccc2)c2ccccc2)O1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine?
The InChIKey is VFMUDIWEBLQFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2OS/c22-20-12-11-19(26-20)18-14-21(23)25-24(18)17(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-12,14,17-18H,13,23H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine has a molecular weight of 382.92 g/mol, XLogP of 5.47, 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-(1,2-diphenylethyl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).