furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone

C14H16N4O3 — CID 164633720

IUPACfuran-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CC(n2cnnc2[C@@H]2CCCO2)C1
InChIInChI=1S/C14H16N4O3/c19-14(12-4-2-6-21-12)17-7-10(8-17)18-9-15-16-13(18)11-3-1-5-20-11/h2,4,6,9-11H,1,3,5,7-8H2/t11-/m0/s1
InChIKeyTZWCGDLQEXWEIP-NSHDSACASA-N
MW288.31 g/mol
LogP1.42
Rot. Bonds3

About furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone

furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone (PubChem CID 164633720) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone
PubChem CID164633720
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namefuran-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CC(n2cnnc2[C@@H]2CCCO2)C1
InChIInChI=1S/C14H16N4O3/c19-14(12-4-2-6-21-12)17-7-10(8-17)18-9-15-16-13(18)11-3-1-5-20-11/h2,4,6,9-11H,1,3,5,7-8H2/t11-/m0/s1
InChIKeyTZWCGDLQEXWEIP-NSHDSACASA-N
XLogP1.42
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone with MolForge

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Related Compounds

N-[4-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 86935480
furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 91904969
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 53192506
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
N-[5-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 86935485
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110414536
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
4-(furan-2-carbonyl)-N'-methyl-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboximidamide
CID 111166065
furan-2-yl-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)pyrrolidin-1-yl]methanone
CID 155880389
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone (CID 164633720) is furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone is O=C(c1ccco1)N1CC(n2cnnc2[C@@H]2CCCO2)C1.
What is the InChIKey of furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone?
The InChIKey is TZWCGDLQEXWEIP-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O3/c19-14(12-4-2-6-21-12)17-7-10(8-17)18-9-15-16-13(18)11-3-1-5-20-11/h2,4,6,9-11H,1,3,5,7-8H2/t11-/m0/s1.
What are the key properties of furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone?
furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone has a molecular weight of 288.31 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 furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 164633720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).