(S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol

C19H15ClN4O2 — CID 97307458

IUPAC(S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1nccn1Cc1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClN4O2/c20-15-8-6-14(7-9-15)19-22-16(23-26-19)12-24-11-10-21-18(24)17(25)13-4-2-1-3-5-13/h1-11,17,25H,12H2/t17-/m0/s1
InChIKeyOZMQRPFOGIGAPZ-KRWDZBQOSA-N
MW366.81 g/mol
LogP3.72
Rot. Bonds5

About (S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol

(S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol (PubChem CID 97307458) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is (S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol
PubChem CID97307458
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name(S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)c1nccn1Cc1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClN4O2/c20-15-8-6-14(7-9-15)19-22-16(23-26-19)12-24-11-10-21-18(24)17(25)13-4-2-1-3-5-13/h1-11,17,25H,12H2/t17-/m0/s1
InChIKeyOZMQRPFOGIGAPZ-KRWDZBQOSA-N
XLogP3.72
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol with MolForge

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Related Compounds

(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
CID 97307465
3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole
CID 53193142
phenyl-[1-(thiophen-2-ylmethyl)imidazol-2-yl]methanol
CID 167786618
3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 2259107
[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53138340
N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide
CID 95094169
(R)-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]-phenylmethanol
CID 99823177
[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]imidazol-2-yl]-phenylmethanol
CID 86817089
1-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966872
(S)-[1-(cyclobutylmethyl)imidazol-2-yl]-phenylmethanol
CID 99700063
2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633256
1-[1-[(4-phenylphenyl)methyl]imidazol-2-yl]ethanol
CID 142479637

Frequently Asked Questions

What is the IUPAC name of (S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol?
The IUPAC name of (S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol (CID 97307458) is (S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol.
What is the SMILES notation for (S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol?
The canonical SMILES for (S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol is O[C@@H](c1ccccc1)c1nccn1Cc1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of (S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol?
The InChIKey is OZMQRPFOGIGAPZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-15-8-6-14(7-9-15)19-22-16(23-26-19)12-24-11-10-21-18(24)17(25)13-4-2-1-3-5-13/h1-11,17,25H,12H2/t17-/m0/s1.
What are the key properties of (S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol?
(S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol has a molecular weight of 366.81 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 97307458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).