N-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide

C10H15N3O2 — CID 60968802

IUPACN-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1ncc[nH]1
InChIInChI=1S/C10H15N3O2/c14-9(13-10-11-5-6-12-10)4-3-8-2-1-7-15-8/h5-6,8H,1-4,7H2,(H2,11,12,13,14)
InChIKeyKGUDRWGZYIFHFM-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.31
Rot. Bonds4

About N-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide

N-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide (PubChem CID 60968802) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide
PubChem CID60968802
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1ncc[nH]1
InChIInChI=1S/C10H15N3O2/c14-9(13-10-11-5-6-12-10)4-3-8-2-1-7-15-8/h5-6,8H,1-4,7H2,(H2,11,12,13,14)
InChIKeyKGUDRWGZYIFHFM-UHFFFAOYSA-N
XLogP1.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.31
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-(oxolan-2-yl)propanamide?
The IUPAC name of N-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide (CID 60968802) is N-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)Nc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide?
The InChIKey is KGUDRWGZYIFHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9(13-10-11-5-6-12-10)4-3-8-2-1-7-15-8/h5-6,8H,1-4,7H2,(H2,11,12,13,14).
What are the key properties of N-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide?
N-(1H-imidazol-2-yl)-3-(oxolan-2-yl)propanamide has a molecular weight of 209.25 g/mol, XLogP of 1.31, 4 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-(oxolan-2-yl)propanamide is sourced from PubChem (CID 60968802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).