(2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide

C13H21N3O2 — CID 29214742

IUPAC(2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide
SMILESCC(C)Cn1cncc1CNC(=O)[C@H]1CCCO1
InChIInChI=1S/C13H21N3O2/c1-10(2)8-16-9-14-6-11(16)7-15-13(17)12-4-3-5-18-12/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyWJGSNARAODJGDL-GFCCVEGCSA-N
MW251.33 g/mol
LogP1.33
Rot. Bonds5

About (2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide

(2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide (PubChem CID 29214742) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide
PubChem CID29214742
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide
SMILESCC(C)Cn1cncc1CNC(=O)[C@H]1CCCO1
InChIInChI=1S/C13H21N3O2/c1-10(2)8-16-9-14-6-11(16)7-15-13(17)12-4-3-5-18-12/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyWJGSNARAODJGDL-GFCCVEGCSA-N
XLogP1.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide
CID 121121018
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine
CID 50950663
(2R)-N-(1H-imidazol-5-ylmethyl)oxolane-2-carboxamide
CID 103850292
N-[(1-propan-2-yltetrazol-5-yl)methyl]oxolane-2-carboxamide
CID 71688455
2-[methyl(piperidin-4-yl)amino]-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]acetamide;dihydrochloride
CID 154909830
(2R)-N-[(5-amino-1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 104856388
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 103849971
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
(2S,3S)-2-methyl-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 129399470
N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
CID 110780449

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide (CID 29214742) is (2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide is CC(C)Cn1cncc1CNC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide?
The InChIKey is WJGSNARAODJGDL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)8-16-9-14-6-11(16)7-15-13(17)12-4-3-5-18-12/h6,9-10,12H,3-5,7-8H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide?
(2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 29214742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).