[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

C22H17ClN2O2 — CID 59675031

IUPAC[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESCc1ccc(-c2onc(-c3ccc(Cl)cc3)c2C(O)c2cccnc2)cc1
InChIInChI=1S/C22H17ClN2O2/c1-14-4-6-16(7-5-14)22-19(21(26)17-3-2-12-24-13-17)20(25-27-22)15-8-10-18(23)11-9-15/h2-13,21,26H,1H3
InChIKeyGNHAPDBDCDADRG-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.45
Rot. Bonds4

About [3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol

[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 59675031) has the molecular formula C22H17ClN2O2 and a molecular weight of 376.84 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID59675031
Molecular FormulaC22H17ClN2O2
Molecular Weight376.84 g/mol
Exact Mass376.10
IUPAC Name[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESCc1ccc(-c2onc(-c3ccc(Cl)cc3)c2C(O)c2cccnc2)cc1
InChIInChI=1S/C22H17ClN2O2/c1-14-4-6-16(7-5-14)22-19(21(26)17-3-2-12-24-13-17)20(25-27-22)15-8-10-18(23)11-9-15/h2-13,21,26H,1H3
InChIKeyGNHAPDBDCDADRG-UHFFFAOYSA-N
XLogP5.45
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674978
[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675028
[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674963
[5-(4-chlorophenyl)-3-(3-methylbutan-2-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463283
[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463442
4-[5-(2-chlorophenyl)-4-[hydroxy(pyridin-3-yl)methyl]-1,2-oxazol-3-yl]benzonitrile
CID 59674947
pyridin-3-yl-[3-[4-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 87814556
[3-(4-bromophenyl)-5-pyridin-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463279
[3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 143201407
[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463288
[4-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463425
[4-(4-chlorophenyl)-1-methyl-2-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463428

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 59675031) is [3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is Cc1ccc(-c2onc(-c3ccc(Cl)cc3)c2C(O)c2cccnc2)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is GNHAPDBDCDADRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O2/c1-14-4-6-16(7-5-14)22-19(21(26)17-3-2-12-24-13-17)20(25-27-22)15-8-10-18(23)11-9-15/h2-13,21,26H,1H3.
What are the key properties of [3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 376.84 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 59675031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).