[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol

C15H18ClN3O2 — CID 102788159

IUPAC[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1CO
InChIInChI=1S/C15H18ClN3O2/c1-10-6-7-19(13(10)9-20)8-14-17-18-15(21-14)11-2-4-12(16)5-3-11/h2-5,10,13,20H,6-9H2,1H3
InChIKeyABFHXFBZKHGQJU-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.59
Rot. Bonds4

About [1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102788159) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is [1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102788159
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1CO
InChIInChI=1S/C15H18ClN3O2/c1-10-6-7-19(13(10)9-20)8-14-17-18-15(21-14)11-2-4-12(16)5-3-11/h2-5,10,13,20H,6-9H2,1H3
InChIKeyABFHXFBZKHGQJU-UHFFFAOYSA-N
XLogP2.59
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788948
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60642415
(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 31476823
[3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788920
4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898076
2-(4-chlorophenyl)-5-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 47055868
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 62013763
2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
2-(4-chlorophenyl)-5-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95609308

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102788159) is [1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)C1CO.
What is the InChIKey of [1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is ABFHXFBZKHGQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10-6-7-19(13(10)9-20)8-14-17-18-15(21-14)11-2-4-12(16)5-3-11/h2-5,10,13,20H,6-9H2,1H3.
What are the key properties of [1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 307.78 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).