2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine

C21H16ClF3N2O2 — CID 141063215

IUPAC2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(-c3cccc(C(F)(F)F)c3)o2)N(Cc2ccccc2Cl)O1
InChIInChI=1S/C21H16ClF3N2O2/c22-16-7-2-1-4-14(16)12-27-17(11-20(26)29-27)19-9-8-18(28-19)13-5-3-6-15(10-13)21(23,24)25/h1-11,17H,12,26H2
InChIKeyXDOLFTCHIHXYSF-UHFFFAOYSA-N
MW420.82 g/mol
LogP5.91
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine

2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine (PubChem CID 141063215) has the molecular formula C21H16ClF3N2O2 and a molecular weight of 420.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine
PubChem CID141063215
Molecular FormulaC21H16ClF3N2O2
Molecular Weight420.82 g/mol
Exact Mass420.09
IUPAC Name2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(-c3cccc(C(F)(F)F)c3)o2)N(Cc2ccccc2Cl)O1
InChIInChI=1S/C21H16ClF3N2O2/c22-16-7-2-1-4-14(16)12-27-17(11-20(26)29-27)19-9-8-18(28-19)13-5-3-6-15(10-13)21(23,24)25/h1-11,17H,12,26H2
InChIKeyXDOLFTCHIHXYSF-UHFFFAOYSA-N
XLogP5.91
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.82
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine (CID 141063215) is 2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine is NC1=CC(c2ccc(-c3cccc(C(F)(F)F)c3)o2)N(Cc2ccccc2Cl)O1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine?
The InChIKey is XDOLFTCHIHXYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O2/c22-16-7-2-1-4-14(16)12-27-17(11-20(26)29-27)19-9-8-18(28-19)13-5-3-6-15(10-13)21(23,24)25/h1-11,17H,12,26H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine?
2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine has a molecular weight of 420.82 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).