[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol

C15H20N4O2 — CID 68574706

IUPAC[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESCN(C)C1CCN(c2ccc(-c3noc(CO)n3)cc2)C1
InChIInChI=1S/C15H20N4O2/c1-18(2)13-7-8-19(9-13)12-5-3-11(4-6-12)15-16-14(10-20)21-17-15/h3-6,13,20H,7-10H2,1-2H3
InChIKeyJBFGSNVBIYJQOS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.37
Rot. Bonds4

About [3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol

[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 68574706) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
PubChem CID68574706
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESCN(C)C1CCN(c2ccc(-c3noc(CO)n3)cc2)C1
InChIInChI=1S/C15H20N4O2/c1-18(2)13-7-8-19(9-13)12-5-3-11(4-6-12)15-16-14(10-20)21-17-15/h3-6,13,20H,7-10H2,1-2H3
InChIKeyJBFGSNVBIYJQOS-UHFFFAOYSA-N
XLogP1.37
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 59643509
1-[4-[5-[[(4-chlorophenyl)methylamino]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 59643556
[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]methanol
CID 63164119
(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153604
(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153690
(3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 30153628
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
3-(4-chlorophenyl)-5-[[(2R)-2-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 42101265
cyclohexyl-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033549
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370851
1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 72915781
1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 59643598

Frequently Asked Questions

What is the IUPAC name of [3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol (CID 68574706) is [3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol is CN(C)C1CCN(c2ccc(-c3noc(CO)n3)cc2)C1.
What is the InChIKey of [3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is JBFGSNVBIYJQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18(2)13-7-8-19(9-13)12-5-3-11(4-6-12)15-16-14(10-20)21-17-15/h3-6,13,20H,7-10H2,1-2H3.
What are the key properties of [3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol?
[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 288.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 68574706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).