(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol

C15H11ClN2O2 — CID 2123355

IUPAC(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESO[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H11ClN2O2/c16-12-8-6-10(7-9-12)13(19)15-18-17-14(20-15)11-4-2-1-3-5-11/h1-9,13,19H/t13-/m0/s1
InChIKeyYCZVRTZSJGYAHI-ZDUSSCGKSA-N
MW286.72 g/mol
LogP3.47
Rot. Bonds3

About (S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol

(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (PubChem CID 2123355) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is (S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
PubChem CID2123355
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
SMILESO[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H11ClN2O2/c16-12-8-6-10(7-9-12)13(19)15-18-17-14(20-15)11-4-2-1-3-5-11/h1-9,13,19H/t13-/m0/s1
InChIKeyYCZVRTZSJGYAHI-ZDUSSCGKSA-N
XLogP3.47
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-phenylacetamide
CID 28997526
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 22432811
3-chloro-N-[(R)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 92656819
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxyaniline
CID 22432817
2-(4-chlorophenyl)-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92895345
(R)-[3-ethoxy-4-(2-methylpropoxy)phenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol
CID 2445691
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-ethoxybenzamide
CID 28718254
N-[(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 20960141
4-chloro-N-[(R)-(3-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 92700621
(1R)-1-(4-chlorophenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 9334600
1-(4-chlorophenyl)-3-[(R)-(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92750553
(1R,2S,3S,4R)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pentane-1,2,3,4,5-pentol
CID 10758847

Frequently Asked Questions

What is the IUPAC name of (S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The IUPAC name of (S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol (CID 2123355) is (S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol.
What is the SMILES notation for (S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The canonical SMILES for (S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol is O[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of (S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
The InChIKey is YCZVRTZSJGYAHI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-8-6-10(7-9-12)13(19)15-18-17-14(20-15)11-4-2-1-3-5-11/h1-9,13,19H/t13-/m0/s1.
What are the key properties of (S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol?
(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol has a molecular weight of 286.72 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methanol is sourced from PubChem (CID 2123355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).