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

C9H14N4O2 — CID 103811687

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1nc(CNC(=O)C2CCNC2)no1
InChIInChI=1S/C9H14N4O2/c1-6-12-8(13-15-6)5-11-9(14)7-2-3-10-4-7/h7,10H,2-5H2,1H3,(H,11,14)
InChIKeyVMGSJESDQNVPTO-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.40
Rot. Bonds3

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 103811687) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID103811687
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1nc(CNC(=O)C2CCNC2)no1
InChIInChI=1S/C9H14N4O2/c1-6-12-8(13-15-6)5-11-9(14)7-2-3-10-4-7/h7,10H,2-5H2,1H3,(H,11,14)
InChIKeyVMGSJESDQNVPTO-UHFFFAOYSA-N
XLogP-0.40
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-2-carboxamide
CID 103811683
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 106396639
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114183213
2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-4-carboxamide
CID 106832159
N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63006041
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyrrolidine-3-carboxamide
CID 119701778
(5S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 129489325
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701777
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
N-[(1R,2R,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 156584695
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 63005233
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]morpholine-2-carboxamide
CID 106416037

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide (CID 103811687) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide is Cc1nc(CNC(=O)C2CCNC2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is VMGSJESDQNVPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-12-8(13-15-6)5-11-9(14)7-2-3-10-4-7/h7,10H,2-5H2,1H3,(H,11,14).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 103811687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).