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

C25H23ClN2O2 — CID 143201407

IUPAC[3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESCCCc1cc(Cl)ccc1-c1noc(-c2ccccc2C)c1C(O)c1cccnc1
InChIInChI=1S/C25H23ClN2O2/c1-3-7-17-14-19(26)11-12-21(17)23-22(24(29)18-9-6-13-27-15-18)25(30-28-23)20-10-5-4-8-16(20)2/h4-6,8-15,24,29H,3,7H2,1-2H3
InChIKeyZJNPCOAFDJFMOL-UHFFFAOYSA-N
MW418.92 g/mol
LogP6.40
Rot. Bonds6

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

[3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (PubChem CID 143201407) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is [3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
PubChem CID143201407
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name[3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
SMILESCCCc1cc(Cl)ccc1-c1noc(-c2ccccc2C)c1C(O)c1cccnc1
InChIInChI=1S/C25H23ClN2O2/c1-3-7-17-14-19(26)11-12-21(17)23-22(24(29)18-9-6-13-27-15-18)25(30-28-23)20-10-5-4-8-16(20)2/h4-6,8-15,24,29H,3,7H2,1-2H3
InChIKeyZJNPCOAFDJFMOL-UHFFFAOYSA-N
XLogP6.40
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)-5-(2-methoxyphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674963
[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463288
[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675031
4-[5-(2-chlorophenyl)-4-[hydroxy(pyridin-3-yl)methyl]-1,2-oxazol-3-yl]benzonitrile
CID 59674947
[5-(4-chlorophenyl)-3-(5-chlorothiophen-3-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59674978
[5-[2-(fluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 123606518
[5-(4-chlorophenyl)-3-propan-2-yl-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675028
[5-(4-chlorophenyl)-3-(3-methylbutan-2-yl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463283
[3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 142794262
[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-(4-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463425
[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463442

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol (CID 143201407) is [3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is CCCc1cc(Cl)ccc1-c1noc(-c2ccccc2C)c1C(O)c1cccnc1.
What is the InChIKey of [3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is ZJNPCOAFDJFMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-3-7-17-14-19(26)11-12-21(17)23-22(24(29)18-9-6-13-27-15-18)25(30-28-23)20-10-5-4-8-16(20)2/h4-6,8-15,24,29H,3,7H2,1-2H3.
What are the key properties of [3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol?
[3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 418.92 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-2-propylphenyl)-5-(2-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 143201407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).