N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide

C14H23N3O2 — CID 5196114

IUPACN-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
SMILESCCCCN(Cc1nccn1C)C(=O)C1CCCO1
InChIInChI=1S/C14H23N3O2/c1-3-4-8-17(11-13-15-7-9-16(13)2)14(18)12-6-5-10-19-12/h7,9,12H,3-6,8,10-11H2,1-2H3
InChIKeyPIAYYIOIQMYMPG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.73
Rot. Bonds6

About N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide

N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide (PubChem CID 5196114) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
PubChem CID5196114
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
SMILESCCCCN(Cc1nccn1C)C(=O)C1CCCO1
InChIInChI=1S/C14H23N3O2/c1-3-4-8-17(11-13-15-7-9-16(13)2)14(18)12-6-5-10-19-12/h7,9,12H,3-6,8,10-11H2,1-2H3
InChIKeyPIAYYIOIQMYMPG-UHFFFAOYSA-N
XLogP1.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclopentyloxy-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 53606966
2-Cyclopentyloxy-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53614031
2-Cyclopentyloxy-1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53616125
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56789808
Methyl 3-[(1-methylimidazol-2-yl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 56790957
2-(1-Ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole
CID 86793090
2-methyl-N-[2-(1-methyl-1H-imidazol-2-yl)ethyl]tetrahydrofuran-2-carboxamide
CID 91785623
N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-2-(tetrahydrofuran-2-ylmethoxy)acetamide
CID 91789528
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 97345872
2-ethoxy-1-[(2R)-2-(imidazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 132319065
N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 164639534
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyloxolane-2-carboxamide
CID 60424248

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide (CID 5196114) is N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide is CCCCN(Cc1nccn1C)C(=O)C1CCCO1.
What is the InChIKey of N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
The InChIKey is PIAYYIOIQMYMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-4-8-17(11-13-15-7-9-16(13)2)14(18)12-6-5-10-19-12/h7,9,12H,3-6,8,10-11H2,1-2H3.
What are the key properties of N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 5196114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).