[3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

C16H10ClF3N2O2 — CID 142794262

IUPAC[3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(C(F)Cl)noc1-c1ccc(F)cc1F
InChIInChI=1S/C16H10ClF3N2O2/c17-16(20)13-12(14(23)8-2-1-5-21-7-8)15(24-22-13)10-4-3-9(18)6-11(10)19/h1-7,14,16,23H
InChIKeyMZJXRAAOKAOTCZ-UHFFFAOYSA-N
MW354.72 g/mol
LogP4.30
Rot. Bonds4

About [3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

[3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 142794262) has the molecular formula C16H10ClF3N2O2 and a molecular weight of 354.72 g/mol. Its IUPAC name is [3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID142794262
Molecular FormulaC16H10ClF3N2O2
Molecular Weight354.72 g/mol
Exact Mass354.04
IUPAC Name[3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(C(F)Cl)noc1-c1ccc(F)cc1F
InChIInChI=1S/C16H10ClF3N2O2/c17-16(20)13-12(14(23)8-2-1-5-21-7-8)15(24-22-13)10-4-3-9(18)6-11(10)19/h1-7,14,16,23H
InChIKeyMZJXRAAOKAOTCZ-UHFFFAOYSA-N
XLogP4.30
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463288
[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675028
[4-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463425
[5-(4-chlorophenyl)-3-(3-methylbutan-2-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463283
[4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463346
[2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 67438518
[3-[(4-chloro-2-fluorophenyl)methyl]-5-[(2,4-difluorophenyl)methyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 175895278
[4-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-5-propan-2-yl-1H-pyrrol-3-yl]-pyridin-3-ylmethanol
CID 174989842
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674963
(5-fluoro-2-methylphenyl)-pyridin-3-ylmethanol
CID 62388574
[3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 143201407

Frequently Asked Questions

What is the IUPAC name of [3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 142794262) is [3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(C(F)Cl)noc1-c1ccc(F)cc1F.
What is the InChIKey of [3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is MZJXRAAOKAOTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O2/c17-16(20)13-12(14(23)8-2-1-5-21-7-8)15(24-22-13)10-4-3-9(18)6-11(10)19/h1-7,14,16,23H.
What are the key properties of [3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 354.72 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 142794262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).