2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C16H20N4O4 — CID 97354684

IUPAC2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1CC(c2nc(-c3ccco3)no2)C1)NC[C@@H]1CCCO1
InChIInChI=1S/C16H20N4O4/c21-14(17-7-12-3-1-5-22-12)10-20-8-11(9-20)16-18-15(19-24-16)13-4-2-6-23-13/h2,4,6,11-12H,1,3,5,7-10H2,(H,17,21)/t12-/m0/s1
InChIKeyBORULFJDAILIDD-LBPRGKRZSA-N
MW332.36 g/mol
LogP1.02
Rot. Bonds6

About 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 97354684) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID97354684
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1CC(c2nc(-c3ccco3)no2)C1)NC[C@@H]1CCCO1
InChIInChI=1S/C16H20N4O4/c21-14(17-7-12-3-1-5-22-12)10-20-8-11(9-20)16-18-15(19-24-16)13-4-2-6-23-13/h2,4,6,11-12H,1,3,5,7-10H2,(H,17,21)/t12-/m0/s1
InChIKeyBORULFJDAILIDD-LBPRGKRZSA-N
XLogP1.02
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-propylacetamide
CID 90509134
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide
CID 71784501
N-(2,3-dimethylphenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 90509090
4-[[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]amino]benzamide
CID 71784535
N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 90509208
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5053666
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94544768
N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid
CID 71784502
N-(2-ethoxyphenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 90509106
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylazetidine-1-carboxamide
CID 90509211
[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(4-methylphenyl)methanone
CID 90508931
1-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 90509042

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 97354684) is 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(CN1CC(c2nc(-c3ccco3)no2)C1)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is BORULFJDAILIDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O4/c21-14(17-7-12-3-1-5-22-12)10-20-8-11(9-20)16-18-15(19-24-16)13-4-2-6-23-13/h2,4,6,11-12H,1,3,5,7-10H2,(H,17,21)/t12-/m0/s1.
What are the key properties of 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 332.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 97354684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).