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

C14H17N3O2 — CID 102780766

IUPAC4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol
SMILESCC1CCNC1c1nc(Cc2ccc(O)cc2)no1
InChIInChI=1S/C14H17N3O2/c1-9-6-7-15-13(9)14-16-12(17-19-14)8-10-2-4-11(18)5-3-10/h2-5,9,13,15,18H,6-8H2,1H3
InChIKeyGQJCBHIEFLFERG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.04
Rot. Bonds3

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

4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol (PubChem CID 102780766) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol
PubChem CID102780766
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol
SMILESCC1CCNC1c1nc(Cc2ccc(O)cc2)no1
InChIInChI=1S/C14H17N3O2/c1-9-6-7-15-13(9)14-16-12(17-19-14)8-10-2-4-11(18)5-3-10/h2-5,9,13,15,18H,6-8H2,1H3
InChIKeyGQJCBHIEFLFERG-UHFFFAOYSA-N
XLogP2.04
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-methylphenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780864
3-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780837
3-[(3-methoxyphenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780842
3-(cyclopropylmethyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781083
3-[(3,5-difluorophenyl)methyl]-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070886
3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743251
4-[[5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43101745
4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136896348
3-[(4-fluorophenyl)methyl]-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424827
3-[(4-chlorophenyl)methyl]-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424808
3-[(3,4-dimethylphenyl)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743401
3-[(2-methylphenyl)sulfanylmethyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781029

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The IUPAC name of 4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol (CID 102780766) is 4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The canonical SMILES for 4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol is CC1CCNC1c1nc(Cc2ccc(O)cc2)no1.
What is the InChIKey of 4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
The InChIKey is GQJCBHIEFLFERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-6-7-15-13(9)14-16-12(17-19-14)8-10-2-4-11(18)5-3-10/h2-5,9,13,15,18H,6-8H2,1H3.
What are the key properties of 4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol?
4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol has a molecular weight of 259.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol is sourced from PubChem (CID 102780766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).