N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide

C8H11N3O2 — CID 130734644

IUPACN-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)Nc2ncc[nH]2)COC1
InChIInChI=1S/C8H11N3O2/c1-8(4-13-5-8)6(12)11-7-9-2-3-10-7/h2-3H,4-5H2,1H3,(H2,9,10,11,12)
InChIKeyVUFCCBAHGSSSJX-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.38
Rot. Bonds2

About N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide

N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide (PubChem CID 130734644) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide
PubChem CID130734644
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC NameN-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)Nc2ncc[nH]2)COC1
InChIInChI=1S/C8H11N3O2/c1-8(4-13-5-8)6(12)11-7-9-2-3-10-7/h2-3H,4-5H2,1H3,(H2,9,10,11,12)
InChIKeyVUFCCBAHGSSSJX-UHFFFAOYSA-N
XLogP0.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide (CID 130734644) is N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide is CC1(C(=O)Nc2ncc[nH]2)COC1.
What is the InChIKey of N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide?
The InChIKey is VUFCCBAHGSSSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-8(4-13-5-8)6(12)11-7-9-2-3-10-7/h2-3H,4-5H2,1H3,(H2,9,10,11,12).
What are the key properties of N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide?
N-(1H-imidazol-2-yl)-3-methyloxetane-3-carboxamide has a molecular weight of 181.20 g/mol, XLogP of 0.38, 2 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)-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 130734644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).