5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C11H20N4O3 — CID 124847174

IUPAC5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCO[C@H](C)CN(C)Cc1nc(C(=O)NC)no1
InChIInChI=1S/C11H20N4O3/c1-5-17-8(2)6-15(4)7-9-13-10(14-18-9)11(16)12-3/h8H,5-7H2,1-4H3,(H,12,16)/t8-/m1/s1
InChIKeyKGWSQDFVMQTFGA-MRVPVSSYSA-N
MW256.31 g/mol
LogP0.29
Rot. Bonds7

About 5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 124847174) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID124847174
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCO[C@H](C)CN(C)Cc1nc(C(=O)NC)no1
InChIInChI=1S/C11H20N4O3/c1-5-17-8(2)6-15(4)7-9-13-10(14-18-9)11(16)12-3/h8H,5-7H2,1-4H3,(H,12,16)/t8-/m1/s1
InChIKeyKGWSQDFVMQTFGA-MRVPVSSYSA-N
XLogP0.29
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminopentyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790560
methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 60971190
5-(2-amino-2-cyclopropylethyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790561
1-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-2-ol
CID 62332798
5-[[[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 162638100
methyl (2S)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 94178799
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-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91833131
5-[[(4-chlorophenyl)methyl-(3-hydroxypropyl)amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 91836949
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoic acid
CID 55007298
5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790618

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 124847174) is 5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CCO[C@H](C)CN(C)Cc1nc(C(=O)NC)no1.
What is the InChIKey of 5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is KGWSQDFVMQTFGA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-5-17-8(2)6-15(4)7-9-13-10(14-18-9)11(16)12-3/h8H,5-7H2,1-4H3,(H,12,16)/t8-/m1/s1.
What are the key properties of 5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-2-ethoxypropyl]-methylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 124847174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).