1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one

C21H23N3O2 — CID 90251208

IUPAC1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one
SMILESCc1noc(C)c1-c1cc(C)c(=O)n(Cc2ccc(N3CCC3)cc2)c1
InChIInChI=1S/C21H23N3O2/c1-14-11-18(20-15(2)22-26-16(20)3)13-24(21(14)25)12-17-5-7-19(8-6-17)23-9-4-10-23/h5-8,11,13H,4,9-10,12H2,1-3H3
InChIKeyWLNSGRYSEXCNKS-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.69
Rot. Bonds4

About 1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one

1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one (PubChem CID 90251208) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one
PubChem CID90251208
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one
SMILESCc1noc(C)c1-c1cc(C)c(=O)n(Cc2ccc(N3CCC3)cc2)c1
InChIInChI=1S/C21H23N3O2/c1-14-11-18(20-15(2)22-26-16(20)3)13-24(21(14)25)12-17-5-7-19(8-6-17)23-9-4-10-23/h5-8,11,13H,4,9-10,12H2,1-3H3
InChIKeyWLNSGRYSEXCNKS-UHFFFAOYSA-N
XLogP3.69
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
CID 90234436
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-iodophenyl)methyl]pyridin-2-one
CID 90234954
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 90234030
1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one
CID 90234589
1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one
CID 90235051
1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(6-methyl-3-pyridinyl)amino]pyridin-2-one
CID 90234904
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]benzamide
CID 76684731
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(quinoxalin-6-ylmethyl)pyridin-2-one
CID 76684733
5-[[3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1-pyridinyl]methyl]thiophene-2-carbonitrile
CID 90234558
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylpyridin-2-one;2-methylpropane
CID 167539274
4-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-3,5-dimethyl-1,2-oxazole
CID 118121112
8-[(4-chlorophenyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-11-morpholin-4-yl-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 146301113

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one?
The IUPAC name of 1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one (CID 90251208) is 1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one.
What is the SMILES notation for 1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one?
The canonical SMILES for 1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one is Cc1noc(C)c1-c1cc(C)c(=O)n(Cc2ccc(N3CCC3)cc2)c1.
What is the InChIKey of 1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one?
The InChIKey is WLNSGRYSEXCNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-11-18(20-15(2)22-26-16(20)3)13-24(21(14)25)12-17-5-7-19(8-6-17)23-9-4-10-23/h5-8,11,13H,4,9-10,12H2,1-3H3.
What are the key properties of 1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one?
1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one has a molecular weight of 349.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(azetidin-1-yl)phenyl]methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylpyridin-2-one is sourced from PubChem (CID 90251208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).