(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide

C12H18N4O2 — CID 164640738

IUPAC(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C12H18N4O2/c1-2-13-12(17)16-6-5-9(7-16)10-14-11(18-15-10)8-3-4-8/h8-9H,2-7H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyXILNRKLFOLUIBA-VIFPVBQESA-N
MW250.30 g/mol
LogP1.47
Rot. Bonds3

About (3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide

(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide (PubChem CID 164640738) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
PubChem CID164640738
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C12H18N4O2/c1-2-13-12(17)16-6-5-9(7-16)10-14-11(18-15-10)8-3-4-8/h8-9H,2-7H2,1H3,(H,13,17)/t9-/m0/s1
InChIKeyXILNRKLFOLUIBA-VIFPVBQESA-N
XLogP1.47
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95320062
[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 91915215
1-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 128988663
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158
[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92569740
2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 110876417
3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 110224458
2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119818447
N-ethyl-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carboxamide
CID 90509208
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
[(3S)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 92567947
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110224445

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide (CID 164640738) is (3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CC[C@H](c2noc(C3CC3)n2)C1.
What is the InChIKey of (3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is XILNRKLFOLUIBA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-13-12(17)16-6-5-9(7-16)10-14-11(18-15-10)8-3-4-8/h8-9H,2-7H2,1H3,(H,13,17)/t9-/m0/s1.
What are the key properties of (3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide?
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 164640738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).