N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide

C15H18N4O2 — CID 75448602

IUPACN-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide
SMILESCCNC(=O)C1CN(c2nc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C15H18N4O2/c1-3-16-14(20)12-8-19(9-12)15-17-13(18-21-15)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,16,20)
InChIKeyYMVZZEFXFQLWIG-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.62
Rot. Bonds4

About N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide

N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide (PubChem CID 75448602) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide
PubChem CID75448602
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide
SMILESCCNC(=O)C1CN(c2nc(-c3ccc(C)cc3)no2)C1
InChIInChI=1S/C15H18N4O2/c1-3-16-14(20)12-8-19(9-12)15-17-13(18-21-15)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,16,20)
InChIKeyYMVZZEFXFQLWIG-UHFFFAOYSA-N
XLogP1.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 167878467
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-(4-methylbenzoyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 175941778
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 53008811
1-[(4-methylphenyl)methyl]-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 53278515
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
(2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol
CID 133486075
(3R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705220
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705221
(3S)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153820
N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519609
4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one
CID 20873192

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide (CID 75448602) is N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide is CCNC(=O)C1CN(c2nc(-c3ccc(C)cc3)no2)C1.
What is the InChIKey of N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide?
The InChIKey is YMVZZEFXFQLWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-16-14(20)12-8-19(9-12)15-17-13(18-21-15)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,16,20).
What are the key properties of N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide?
N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide is sourced from PubChem (CID 75448602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).