N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide

C12H20N4O2 — CID 110196408

IUPACN-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
SMILESCCNC(=O)N1CCCCCC1c1nc(C)no1
InChIInChI=1S/C12H20N4O2/c1-3-13-12(17)16-8-6-4-5-7-10(16)11-14-9(2)15-18-11/h10H,3-8H2,1-2H3,(H,13,17)
InChIKeySAJLXIIFBBHHOV-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.02
Rot. Bonds2

About N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide

N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide (PubChem CID 110196408) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
PubChem CID110196408
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
SMILESCCNC(=O)N1CCCCCC1c1nc(C)no1
InChIInChI=1S/C12H20N4O2/c1-3-13-12(17)16-8-6-4-5-7-10(16)11-14-9(2)15-18-11/h10H,3-8H2,1-2H3,(H,13,17)
InChIKeySAJLXIIFBBHHOV-UHFFFAOYSA-N
XLogP2.02
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
(2S)-N-(furan-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 95186545
N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 90564298
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 90564068
N-ethyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 3675967
N-(4-ethylsulfanylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 118785815
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 90564067
(2S)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 126425990
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-piperidin-1-ylbutan-1-one
CID 72924183
(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 126436597
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 125143048
(2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51984767

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide?
The IUPAC name of N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide (CID 110196408) is N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide.
What is the SMILES notation for N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide?
The canonical SMILES for N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide is CCNC(=O)N1CCCCCC1c1nc(C)no1.
What is the InChIKey of N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide?
The InChIKey is SAJLXIIFBBHHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-13-12(17)16-8-6-4-5-7-10(16)11-14-9(2)15-18-11/h10H,3-8H2,1-2H3,(H,13,17).
What are the key properties of N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide?
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide is sourced from PubChem (CID 110196408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).