N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide

C13H21N3O2 — CID 65160478

IUPACN-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(C)Cc2ncc[nH]2)C1C
InChIInChI=1S/C13H21N3O2/c1-8-9(2)18-10(3)12(8)13(17)16(4)7-11-14-5-6-15-11/h5-6,8-10,12H,7H2,1-4H3,(H,14,15)
InChIKeyIJZNBBNJSAAWST-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.43
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide (PubChem CID 65160478) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
PubChem CID65160478
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N(C)Cc2ncc[nH]2)C1C
InChIInChI=1S/C13H21N3O2/c1-8-9(2)18-10(3)12(8)13(17)16(4)7-11-14-5-6-15-11/h5-6,8-10,12H,7H2,1-4H3,(H,14,15)
InChIKeyIJZNBBNJSAAWST-UHFFFAOYSA-N
XLogP1.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 79209079
N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide
CID 81002280
cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427
3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 64517297
N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 64519230
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide
CID 103873085
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
N-(1H-imidazol-2-ylmethyl)-N-methylmorpholine-2-carboxamide
CID 64519803
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64852236
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide (CID 65160478) is N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)N(C)Cc2ncc[nH]2)C1C.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
The InChIKey is IJZNBBNJSAAWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-9(2)18-10(3)12(8)13(17)16(4)7-11-14-5-6-15-11/h5-6,8-10,12H,7H2,1-4H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide is sourced from PubChem (CID 65160478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).