3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide

C14H22N4O4 — CID 95045939

IUPAC3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESO=C(CCN1CCCCO1)NCc1noc([C@@H]2CCCO2)n1
InChIInChI=1S/C14H22N4O4/c19-13(5-7-18-6-1-2-9-21-18)15-10-12-16-14(22-17-12)11-4-3-8-20-11/h11H,1-10H2,(H,15,19)/t11-/m0/s1
InChIKeyOUMINSQEHLCCEM-NSHDSACASA-N
MW310.35 g/mol
LogP0.95
Rot. Bonds6

About 3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide

3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide (PubChem CID 95045939) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
PubChem CID95045939
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESO=C(CCN1CCCCO1)NCc1noc([C@@H]2CCCO2)n1
InChIInChI=1S/C14H22N4O4/c19-13(5-7-18-6-1-2-9-21-18)15-10-12-16-14(22-17-12)11-4-3-8-20-11/h11H,1-10H2,(H,15,19)/t11-/m0/s1
InChIKeyOUMINSQEHLCCEM-NSHDSACASA-N
XLogP0.95
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 157018596
N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 72904628
3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 135099312
3-(1H-indol-3-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 125164412
1-methyl-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125156952
N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 95729991
3-(2-methylbenzimidazol-1-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99974647
2-(5-acetylthiophen-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 118769200
5-methyl-4-oxo-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 154570551
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
1,5,6-trimethyl-2-oxo-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide
CID 126443305
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 95867707

Frequently Asked Questions

What is the IUPAC name of 3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The IUPAC name of 3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide (CID 95045939) is 3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The canonical SMILES for 3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide is O=C(CCN1CCCCO1)NCc1noc([C@@H]2CCCO2)n1.
What is the InChIKey of 3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The InChIKey is OUMINSQEHLCCEM-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N4O4/c19-13(5-7-18-6-1-2-9-21-18)15-10-12-16-14(22-17-12)11-4-3-8-20-11/h11H,1-10H2,(H,15,19)/t11-/m0/s1.
What are the key properties of 3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide?
3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide has a molecular weight of 310.35 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxazinan-2-yl)-N-[[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]propanamide is sourced from PubChem (CID 95045939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).