5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one

C11H10N2O4 — CID 166308075

IUPAC5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one
SMILESO=C(c1ccoc1)N1CC(c2cc(=O)[nH]o2)C1
InChIInChI=1S/C11H10N2O4/c14-10-3-9(17-12-10)8-4-13(5-8)11(15)7-1-2-16-6-7/h1-3,6,8H,4-5H2,(H,12,14)
InChIKeyOBTMAXHULIFGNY-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.80
Rot. Bonds2

About 5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one

5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one (PubChem CID 166308075) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one
PubChem CID166308075
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one
SMILESO=C(c1ccoc1)N1CC(c2cc(=O)[nH]o2)C1
InChIInChI=1S/C11H10N2O4/c14-10-3-9(17-12-10)8-4-13(5-8)11(15)7-1-2-16-6-7/h1-3,6,8H,4-5H2,(H,12,14)
InChIKeyOBTMAXHULIFGNY-UHFFFAOYSA-N
XLogP0.80
TPSA79.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone
CID 130531402
4-(furan-3-carbonyl)piperazine-2,6-dione
CID 66083593
5-cyclopentyl-1,2-oxazol-3-one
CID 45099074
[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone
CID 99883345
[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(furan-3-yl)methanone
CID 71809262
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl(furan-3-yl)methanone
CID 68602223
9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645770
(3R)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
CID 129366066
(3S)-1-(furan-3-carbonyl)piperidine-3-sulfonamide
CID 129366065
[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 80666702
N-(2,4-difluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569045

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one (CID 166308075) is 5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one is O=C(c1ccoc1)N1CC(c2cc(=O)[nH]o2)C1.
What is the InChIKey of 5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one?
The InChIKey is OBTMAXHULIFGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c14-10-3-9(17-12-10)8-4-13(5-8)11(15)7-1-2-16-6-7/h1-3,6,8H,4-5H2,(H,12,14).
What are the key properties of 5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one?
5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one has a molecular weight of 234.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-3-carbonyl)azetidin-3-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 166308075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).