N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide

C13H21N3O2 — CID 97345872

IUPACN-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C13H21N3O2/c1-10(2)13-14-5-6-16(13)9-12(17)15-8-11-4-3-7-18-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyDOOKIRHLMULCLK-LLVKDONJSA-N
MW251.33 g/mol
LogP1.30
Rot. Bonds5

About N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide

N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide (PubChem CID 97345872) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
PubChem CID97345872
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)NC[C@H]1CCCO1
InChIInChI=1S/C13H21N3O2/c1-10(2)13-14-5-6-16(13)9-12(17)15-8-11-4-3-7-18-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyDOOKIRHLMULCLK-LLVKDONJSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-isopropyl-1H-imidazol-1-yl)-N-(tetrahydro-2H-pyran-4-yl)propanamide
CID 72858484
N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
CID 97459850
N-[[(1R,3aR,7aR)-5-propyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
CID 97459851
N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
CID 97459852
2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 45501909
N-propyl-N-(tetrahydrofuran-2-ylmethyl)-1H-imidazole-2-carboxamide
CID 56749755
2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 56790927
2-(1-Ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole
CID 86793090
N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-2-methoxybutanamide
CID 91761842
2-methyl-N-[2-(1-methyl-1H-imidazol-2-yl)ethyl]tetrahydrofuran-2-carboxamide
CID 91785623
N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91792866
N-[(1S)-1-(1-methylimidazol-2-yl)ethyl]-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
CID 164632192

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide (CID 97345872) is N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide is CC(C)c1nccn1CC(=O)NC[C@H]1CCCO1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The InChIKey is DOOKIRHLMULCLK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)13-14-5-6-16(13)9-12(17)15-8-11-4-3-7-18-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 97345872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).