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

C12H14N4O3 — CID 121098383

IUPAC1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESCC(C)c1noc(C2CN(C(=O)c3ccno3)C2)n1
InChIInChI=1S/C12H14N4O3/c1-7(2)10-14-11(19-15-10)8-5-16(6-8)12(17)9-3-4-13-18-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyMLOBTFFXZHLHCS-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.42
Rot. Bonds3

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

1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (PubChem CID 121098383) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
PubChem CID121098383
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
SMILESCC(C)c1noc(C2CN(C(=O)c3ccno3)C2)n1
InChIInChI=1S/C12H14N4O3/c1-7(2)10-14-11(19-15-10)8-5-16(6-8)12(17)9-3-4-13-18-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyMLOBTFFXZHLHCS-UHFFFAOYSA-N
XLogP1.42
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethylphenyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098468
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121098510
(3-methylphenyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098465
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098600
2-methyl-6-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]pyridazin-3-one
CID 121098410
(2-methoxy-3-pyridinyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098437
1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 121098614
2-(4-methoxyphenyl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121098540
N-benzyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098797
(2-bromo-5-methoxyphenyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098421
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 56686165
N-(2-fluorophenyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121098819

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The IUPAC name of 1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone (CID 121098383) is 1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone.
What is the SMILES notation for 1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The canonical SMILES for 1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is CC(C)c1noc(C2CN(C(=O)c3ccno3)C2)n1.
What is the InChIKey of 1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
The InChIKey is MLOBTFFXZHLHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7(2)10-14-11(19-15-10)8-5-16(6-8)12(17)9-3-4-13-18-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone?
1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone has a molecular weight of 262.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-5-yl-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 121098383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).