N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide

C9H13N3O2 — CID 60769755

IUPACN-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1ncc[nH]1
InChIInChI=1S/C9H13N3O2/c13-8(6-7-2-1-5-14-7)12-9-10-3-4-11-9/h3-4,7H,1-2,5-6H2,(H2,10,11,12,13)
InChIKeyWHMRLGFMWAGNAP-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.92
Rot. Bonds3

About N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide

N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide (PubChem CID 60769755) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide
PubChem CID60769755
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)Nc1ncc[nH]1
InChIInChI=1S/C9H13N3O2/c13-8(6-7-2-1-5-14-7)12-9-10-3-4-11-9/h3-4,7H,1-2,5-6H2,(H2,10,11,12,13)
InChIKeyWHMRLGFMWAGNAP-UHFFFAOYSA-N
XLogP0.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide
CID 114826329
2-(oxolan-2-ylmethyl)-1H-imidazole
CID 53835522
N-(1H-imidazol-2-yl)hexanamide
CID 53885141
1-Imidazol-1-yl-2-(oxolan-2-yl)ethanone
CID 58939120
1H-imidazol-2-yl(oxolan-2-yl)methanone
CID 67402891
propan-2-yl 5-(1H-imidazol-2-yl)pentanoate
CID 173265153
N-(1H-imidazol-2-yl)oxolane-2-carboxamide
CID 60966777
N-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide
CID 60968802
N-(1H-imidazol-2-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 61558406
N-[2-(oxolan-2-yl)ethyl]imidazole-1-carboxamide
CID 61786861
N-(1H-imidazol-2-yl)oxolane-3-carboxamide
CID 61896755
N-(1H-imidazol-2-yl)oxane-3-carboxamide
CID 63097338

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide (CID 60769755) is N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide?
The InChIKey is WHMRLGFMWAGNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8(6-7-2-1-5-14-7)12-9-10-3-4-11-9/h3-4,7H,1-2,5-6H2,(H2,10,11,12,13).
What are the key properties of N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide?
N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide has a molecular weight of 195.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 60769755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).