3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine

C20H15ClF2N2O2 — CID 141063301

IUPAC3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(-c3cccc(Cl)c3)o2)N(Cc2ccc(F)c(F)c2)O1
InChIInChI=1S/C20H15ClF2N2O2/c21-14-3-1-2-13(9-14)18-6-7-19(26-18)17-10-20(24)27-25(17)11-12-4-5-15(22)16(23)8-12/h1-10,17H,11,24H2
InChIKeyZJEPIOQQLZQCGN-UHFFFAOYSA-N
MW388.80 g/mol
LogP5.17
Rot. Bonds4

About 3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine

3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine (PubChem CID 141063301) has the molecular formula C20H15ClF2N2O2 and a molecular weight of 388.80 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine
PubChem CID141063301
Molecular FormulaC20H15ClF2N2O2
Molecular Weight388.80 g/mol
Exact Mass388.08
IUPAC Name3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(-c3cccc(Cl)c3)o2)N(Cc2ccc(F)c(F)c2)O1
InChIInChI=1S/C20H15ClF2N2O2/c21-14-3-1-2-13(9-14)18-6-7-19(26-18)17-10-20(24)27-25(17)11-12-4-5-15(22)16(23)8-12/h1-10,17H,11,24H2
InChIKeyZJEPIOQQLZQCGN-UHFFFAOYSA-N
XLogP5.17
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.80
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine (CID 141063301) is 3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine is NC1=CC(c2ccc(-c3cccc(Cl)c3)o2)N(Cc2ccc(F)c(F)c2)O1.
What is the InChIKey of 3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine?
The InChIKey is ZJEPIOQQLZQCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O2/c21-14-3-1-2-13(9-14)18-6-7-19(26-18)17-10-20(24)27-25(17)11-12-4-5-15(22)16(23)8-12/h1-10,17H,11,24H2.
What are the key properties of 3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine?
3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine has a molecular weight of 388.80 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)furan-2-yl]-2-[(3,4-difluorophenyl)methyl]-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).