2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide

C12H22N4O2 — CID 24648763

IUPAC2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1nc(C(C)C)no1
InChIInChI=1S/C12H22N4O2/c1-5-6-13-10(17)7-16(4)8-11-14-12(9(2)3)15-18-11/h9H,5-8H2,1-4H3,(H,13,17)
InChIKeyOQEWVMBCDVVXBA-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.15
Rot. Bonds7

About 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide

2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide (PubChem CID 24648763) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide
PubChem CID24648763
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1nc(C(C)C)no1
InChIInChI=1S/C12H22N4O2/c1-5-6-13-10(17)7-16(4)8-11-14-12(9(2)3)15-18-11/h9H,5-8H2,1-4H3,(H,13,17)
InChIKeyOQEWVMBCDVVXBA-UHFFFAOYSA-N
XLogP1.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate
CID 60721009
3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 60987942
N-(2,6-dichlorophenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 55525642
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 91843033
2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 97058788
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-N-propylacetamide
CID 133383063
N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pentanamide
CID 60590938
5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol
CID 107204044
2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 56812880
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 60720301
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 124755163
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 91828743

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide (CID 24648763) is 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1nc(C(C)C)no1.
What is the InChIKey of 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide?
The InChIKey is OQEWVMBCDVVXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-6-13-10(17)7-16(4)8-11-14-12(9(2)3)15-18-11/h9H,5-8H2,1-4H3,(H,13,17).
What are the key properties of 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide?
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide has a molecular weight of 254.33 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide is sourced from PubChem (CID 24648763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).