3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one

C17H26N6O4 — CID 167774548

IUPAC3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(C)(C)CC1COCCN1C(=O)c1cn(CCCc2noc(=O)[nH]2)nn1
InChIInChI=1S/C17H26N6O4/c1-17(2,3)9-12-11-26-8-7-23(12)15(24)13-10-22(21-19-13)6-4-5-14-18-16(25)27-20-14/h10,12H,4-9,11H2,1-3H3,(H,18,20,25)
InChIKeyWRSOWSGAPWMASO-UHFFFAOYSA-N
MW378.43 g/mol
LogP0.86
Rot. Bonds6

About 3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one

3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 167774548) has the molecular formula C17H26N6O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID167774548
Molecular FormulaC17H26N6O4
Molecular Weight378.43 g/mol
Exact Mass378.20
IUPAC Name3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one
SMILESCC(C)(C)CC1COCCN1C(=O)c1cn(CCCc2noc(=O)[nH]2)nn1
InChIInChI=1S/C17H26N6O4/c1-17(2,3)9-12-11-26-8-7-23(12)15(24)13-10-22(21-19-13)6-4-5-14-18-16(25)27-20-14/h10,12H,4-9,11H2,1-3H3,(H,18,20,25)
InChIKeyWRSOWSGAPWMASO-UHFFFAOYSA-N
XLogP0.86
TPSA119.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

ethyl 2-[(3R)-4-[1-(2-cyclohexylethyl)triazole-4-carbonyl]morpholin-3-yl]acetate
CID 25369911
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[3-[(dimethylamino)methyl]morpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;formic acid
CID 71786025
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2-[(3S)-4-[1-(3-methylphenyl)triazole-4-carbonyl]morpholin-3-yl]acetic acid
CID 129469806
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42239902
[3-[(dimethylamino)methyl]morpholin-4-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 71785859
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-ethylmorpholin-4-yl)methanone
CID 66390207
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43613638
6-(3-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107262017
2-[4-(2-ethylpyrrolidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66287918

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one (CID 167774548) is 3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one is CC(C)(C)CC1COCCN1C(=O)c1cn(CCCc2noc(=O)[nH]2)nn1.
What is the InChIKey of 3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is WRSOWSGAPWMASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O4/c1-17(2,3)9-12-11-26-8-7-23(12)15(24)13-10-22(21-19-13)6-4-5-14-18-16(25)27-20-14/h10,12H,4-9,11H2,1-3H3,(H,18,20,25).
What are the key properties of 3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one?
3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 378.43 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[3-(2,2-dimethylpropyl)morpholine-4-carbonyl]triazol-1-yl]propyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 167774548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).