[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol

C17H11Cl3F3NO2 — CID 86631552

IUPAC[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol
SMILESOCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C17H11Cl3F3NO2/c18-12-4-11(5-13(19)6-12)16(17(21,22)23)7-15(24-26-16)9-1-2-10(8-25)14(20)3-9/h1-6,25H,7-8H2
InChIKeyNQOJVWAJXOSAPT-UHFFFAOYSA-N
MW424.63 g/mol
LogP5.72
Rot. Bonds3

About [2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol

[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol (PubChem CID 86631552) has the molecular formula C17H11Cl3F3NO2 and a molecular weight of 424.63 g/mol. Its IUPAC name is [2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol
PubChem CID86631552
Molecular FormulaC17H11Cl3F3NO2
Molecular Weight424.63 g/mol
Exact Mass422.98
IUPAC Name[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol
SMILESOCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl
InChIInChI=1S/C17H11Cl3F3NO2/c18-12-4-11(5-13(19)6-12)16(17(21,22)23)7-15(24-26-16)9-1-2-10(8-25)14(20)3-9/h1-6,25H,7-8H2
InChIKeyNQOJVWAJXOSAPT-UHFFFAOYSA-N
XLogP5.72
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol?
The IUPAC name of [2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol (CID 86631552) is [2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol.
What is the SMILES notation for [2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol?
The canonical SMILES for [2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol is OCc1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1Cl.
What is the InChIKey of [2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol?
The InChIKey is NQOJVWAJXOSAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3F3NO2/c18-12-4-11(5-13(19)6-12)16(17(21,22)23)7-15(24-26-16)9-1-2-10(8-25)14(20)3-9/h1-6,25H,7-8H2.
What are the key properties of [2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol?
[2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol has a molecular weight of 424.63 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methanol is sourced from PubChem (CID 86631552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).