N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C13H22N4O3 — CID 102742320

IUPACN-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCC(COC)NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H22N4O3/c1-3-5-9(8-19-2)15-12(18)11-16-13(20-17-11)10-6-4-7-14-10/h9-10,14H,3-8H2,1-2H3,(H,15,18)
InChIKeyGYNQRFWCDFTJNQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.04
Rot. Bonds7

About N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102742320) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102742320
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCC(COC)NC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C13H22N4O3/c1-3-5-9(8-19-2)15-12(18)11-16-13(20-17-11)10-6-4-7-14-10/h9-10,14H,3-8H2,1-2H3,(H,15,18)
InChIKeyGYNQRFWCDFTJNQ-UHFFFAOYSA-N
XLogP1.04
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 102742264
3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]pentanoic acid
CID 102742476
methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 104970945
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
N-(1-cyclopropylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970833
N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970779
N-(1-cyclobutylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742553
(2S)-4-hydroxy-2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]butanoic acid
CID 107824867
N-(2-propan-2-yloxyethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742533
N-(1-cyclohexylethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970872
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 106255235
methyl 2-hydroxy-3-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 107222801

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 102742320) is N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CCCC(COC)NC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is GYNQRFWCDFTJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-5-9(8-19-2)15-12(18)11-16-13(20-17-11)10-6-4-7-14-10/h9-10,14H,3-8H2,1-2H3,(H,15,18).
What are the key properties of N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypentan-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102742320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).