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

C12H16N6O4 — CID 157018596

IUPAC3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESO=C(CCc1n[nH]c(=O)[nH]1)NCc1noc(C2CCCO2)n1
InChIInChI=1S/C12H16N6O4/c19-10(4-3-8-15-12(20)17-16-8)13-6-9-14-11(22-18-9)7-2-1-5-21-7/h7H,1-6H2,(H,13,19)(H2,15,16,17,20)
InChIKeyJKKVZMBERMDZSJ-UHFFFAOYSA-N
MW308.30 g/mol
LogP-0.42
Rot. Bonds6

About 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

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 (PubChem CID 157018596) has the molecular formula C12H16N6O4 and a molecular weight of 308.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
PubChem CID157018596
Molecular FormulaC12H16N6O4
Molecular Weight308.30 g/mol
Exact Mass308.12
IUPAC Name3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESO=C(CCc1n[nH]c(=O)[nH]1)NCc1noc(C2CCCO2)n1
InChIInChI=1S/C12H16N6O4/c19-10(4-3-8-15-12(20)17-16-8)13-6-9-14-11(22-18-9)7-2-1-5-21-7/h7H,1-6H2,(H,13,19)(H2,15,16,17,20)
InChIKeyJKKVZMBERMDZSJ-UHFFFAOYSA-N
XLogP-0.42
TPSA138.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 95045939
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3-(1H-indol-3-yl)-N-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 99945911
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
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CID 124757992
2-(5-acetylthiophen-3-yl)-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 118769200
3-hydroxy-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]pyridine-2-carboxamide
CID 125437836
5-ethyl-N-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 125172135
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CCc1n[nH]c(=O)[nH]1)NCc1noc(C2CCCO2)n1.
What is the InChIKey of 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?
The InChIKey is JKKVZMBERMDZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O4/c19-10(4-3-8-15-12(20)17-16-8)13-6-9-14-11(22-18-9)7-2-1-5-21-7/h7H,1-6H2,(H,13,19)(H2,15,16,17,20).
What are the key properties of 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?
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 has a molecular weight of 308.30 g/mol, XLogP of -0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157018596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).