3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole

C18H18N4O — CID 118785977

IUPAC3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3CC(c4ccccn4)C3)n2)cc1
InChIInChI=1S/C18H18N4O/c1-13-5-7-14(8-6-13)18-20-17(23-21-18)12-22-10-15(11-22)16-4-2-3-9-19-16/h2-9,15H,10-12H2,1H3
InChIKeyGUNPNUSVYZBSEH-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.04
Rot. Bonds4

About 3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole

3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 118785977) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID118785977
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CN3CC(c4ccccn4)C3)n2)cc1
InChIInChI=1S/C18H18N4O/c1-13-5-7-14(8-6-13)18-20-17(23-21-18)12-22-10-15(11-22)16-4-2-3-9-19-16/h2-9,15H,10-12H2,1H3
InChIKeyGUNPNUSVYZBSEH-UHFFFAOYSA-N
XLogP3.04
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 79993658
5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 96577271
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370851
3-(4-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47007090
2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid
CID 64618321
2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 27156351
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
3-(4-methylphenyl)-5-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134236199
3-(3-methylphenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 2997220
3-(4-chlorophenyl)-5-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 8539727
(2S,6R)-4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
CID 26493802
1-[(3R,4R)-4-hydroxy-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134702513

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole (CID 118785977) is 3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole is Cc1ccc(-c2noc(CN3CC(c4ccccn4)C3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is GUNPNUSVYZBSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-5-7-14(8-6-13)18-20-17(23-21-18)12-22-10-15(11-22)16-4-2-3-9-19-16/h2-9,15H,10-12H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 306.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 118785977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).