N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide

C15H26N4O3 — CID 119343066

IUPACN-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)COC(C)c1noc(CN(C)C(=O)C2CCCN2)n1
InChIInChI=1S/C15H26N4O3/c1-10(2)9-21-11(3)14-17-13(22-18-14)8-19(4)15(20)12-6-5-7-16-12/h10-12,16H,5-9H2,1-4H3
InChIKeyTTWZWSOYMJOVDS-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.51
Rot. Bonds7

About N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide

N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119343066) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID119343066
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC(C)COC(C)c1noc(CN(C)C(=O)C2CCCN2)n1
InChIInChI=1S/C15H26N4O3/c1-10(2)9-21-11(3)14-17-13(22-18-14)8-19(4)15(20)12-6-5-7-16-12/h10-12,16H,5-9H2,1-4H3
InChIKeyTTWZWSOYMJOVDS-UHFFFAOYSA-N
XLogP1.51
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119817735
3-amino-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 119817731
(3R,4S)-N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120936933
cis-(1S,2R)-2-[[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132563
N-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 80710136
3-amino-N-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119818597
[4-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-pyrrolidin-2-ylmethanone
CID 119900039
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepane-2-carboxamide
CID 64561642
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2S)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119859306
methyl 2-methyl-3-[methyl(pyrrolidine-2-carbonyl)amino]propanoate
CID 60963906
5-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylcarbamoyl]thiophene-2-carboxylic acid
CID 119186927

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide (CID 119343066) is N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is CC(C)COC(C)c1noc(CN(C)C(=O)C2CCCN2)n1.
What is the InChIKey of N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is TTWZWSOYMJOVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-10(2)9-21-11(3)14-17-13(22-18-14)8-19(4)15(20)12-6-5-7-16-12/h10-12,16H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide?
N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119343066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).