3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide

C19H17ClN4O2 — CID 121093199

IUPAC3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC(c2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C19H17ClN4O2/c20-15-6-8-16(9-7-15)21-19(25)24-11-14(12-24)18-22-17(23-26-18)10-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,21,25)
InChIKeyYCVVOKJGCLHXAB-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.95
Rot. Bonds4

About 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide

3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide (PubChem CID 121093199) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide
PubChem CID121093199
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC(c2nc(Cc3ccccc3)no2)C1
InChIInChI=1S/C19H17ClN4O2/c20-15-6-8-16(9-7-15)21-19(25)24-11-14(12-24)18-22-17(23-26-18)10-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,21,25)
InChIKeyYCVVOKJGCLHXAB-UHFFFAOYSA-N
XLogP3.95
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide (CID 121093199) is 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CC(c2nc(Cc3ccccc3)no2)C1.
What is the InChIKey of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide?
The InChIKey is YCVVOKJGCLHXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c20-15-6-8-16(9-7-15)21-19(25)24-11-14(12-24)18-22-17(23-26-18)10-13-4-2-1-3-5-13/h1-9,14H,10-12H2,(H,21,25).
What are the key properties of 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide?
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-(4-chlorophenyl)azetidine-1-carboxamide is sourced from PubChem (CID 121093199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).