N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide

C11H18N4O2 — CID 106396912

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ncon2)CCNC1
InChIInChI=1S/C11H18N4O2/c1-2-3-11(4-5-12-7-11)10(16)13-6-9-14-8-17-15-9/h8,12H,2-7H2,1H3,(H,13,16)
InChIKeyDFRVVJZMVYCXJE-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.47
Rot. Bonds5

About N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide

N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 106396912) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID106396912
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ncon2)CCNC1
InChIInChI=1S/C11H18N4O2/c1-2-3-11(4-5-12-7-11)10(16)13-6-9-14-8-17-15-9/h8,12H,2-7H2,1H3,(H,13,16)
InChIKeyDFRVVJZMVYCXJE-UHFFFAOYSA-N
XLogP0.47
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141539
N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 64529966
1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 106396843
3-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidine-3-carboxamide
CID 106397914
N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63302616
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63281046
N-(1,2,4-oxadiazol-3-ylmethyl)-4-phenylpiperidine-4-carboxamide
CID 106396970
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 63134919
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 106403146

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide (CID 106396912) is N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCc2ncon2)CCNC1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is DFRVVJZMVYCXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-3-11(4-5-12-7-11)10(16)13-6-9-14-8-17-15-9/h8,12H,2-7H2,1H3,(H,13,16).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106396912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).