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

C11H18N4O3 — CID 136534776

IUPAC2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC(C)C2CO)no1
InChIInChI=1S/C11H18N4O3/c1-7-3-4-15(9(7)6-16)11(17)12-5-10-13-8(2)18-14-10/h7,9,16H,3-6H2,1-2H3,(H,12,17)
InChIKeyRJMIIQRTWFPJIF-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.29
Rot. Bonds3

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

2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 136534776) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID136534776
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1nc(CNC(=O)N2CCC(C)C2CO)no1
InChIInChI=1S/C11H18N4O3/c1-7-3-4-15(9(7)6-16)11(17)12-5-10-13-8(2)18-14-10/h7,9,16H,3-6H2,1-2H3,(H,12,17)
InChIKeyRJMIIQRTWFPJIF-UHFFFAOYSA-N
XLogP0.29
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114184257
(2S)-2-(3-methylbutyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 97074229
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 106402750
4-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106420234
(2R,3R)-2-(hydroxymethyl)-3-methyl-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 124737529
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114183213
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 106396639
1-[2-(hydroxymethyl)cyclohexyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111631177
(2S,4S)-2-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine-1-carboxylic acid
CID 135260646
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114184272
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide (CID 136534776) is 2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide is Cc1nc(CNC(=O)N2CCC(C)C2CO)no1.
What is the InChIKey of 2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is RJMIIQRTWFPJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7-3-4-15(9(7)6-16)11(17)12-5-10-13-8(2)18-14-10/h7,9,16H,3-6H2,1-2H3,(H,12,17).
What are the key properties of 2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136534776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).