[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C16H13ClN4O3 — CID 56764561

IUPAC[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)no1
InChIInChI=1S/C16H13ClN4O3/c1-9-5-13(19-23-9)16(22)21-7-11(8-21)15-18-14(20-24-15)10-3-2-4-12(17)6-10/h2-6,11H,7-8H2,1H3
InChIKeyARRBYJVSJYHZMK-UHFFFAOYSA-N
MW344.76 g/mol
LogP2.93
Rot. Bonds3

About [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 56764561) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID56764561
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC Name[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)no1
InChIInChI=1S/C16H13ClN4O3/c1-9-5-13(19-23-9)16(22)21-7-11(8-21)15-18-14(20-24-15)10-3-2-4-12(17)6-10/h2-6,11H,7-8H2,1H3
InChIKeyARRBYJVSJYHZMK-UHFFFAOYSA-N
XLogP2.93
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095143
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121095297
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]butan-1-one
CID 121095144
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylazetidine-1-carboxamide
CID 121095485
3-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]benzonitrile
CID 121095304
(2-chloro-4-fluorophenyl)-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121095280
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 71456522
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 121095124
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 4037209
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 121095319
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 42760505
(3-chlorophenyl)-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121095643

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 56764561) is [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)no1.
What is the InChIKey of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is ARRBYJVSJYHZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c1-9-5-13(19-23-9)16(22)21-7-11(8-21)15-18-14(20-24-15)10-3-2-4-12(17)6-10/h2-6,11H,7-8H2,1H3.
What are the key properties of [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 344.76 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 56764561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).