N-(2-oxooxolan-3-yl)imidazole-1-carboxamide

C8H9N3O3 — CID 68958382

IUPACN-(2-oxooxolan-3-yl)imidazole-1-carboxamide
SMILESO=C1OCCC1NC(=O)n1ccnc1
InChIInChI=1S/C8H9N3O3/c12-7-6(1-4-14-7)10-8(13)11-3-2-9-5-11/h2-3,5-6H,1,4H2,(H,10,13)
InChIKeyYENBWYPIZNXWIK-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.24
Rot. Bonds1

About N-(2-oxooxolan-3-yl)imidazole-1-carboxamide

N-(2-oxooxolan-3-yl)imidazole-1-carboxamide (PubChem CID 68958382) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(2-oxooxolan-3-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-oxooxolan-3-yl)imidazole-1-carboxamide
PubChem CID68958382
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC NameN-(2-oxooxolan-3-yl)imidazole-1-carboxamide
SMILESO=C1OCCC1NC(=O)n1ccnc1
InChIInChI=1S/C8H9N3O3/c12-7-6(1-4-14-7)10-8(13)11-3-2-9-5-11/h2-3,5-6H,1,4H2,(H,10,13)
InChIKeyYENBWYPIZNXWIK-UHFFFAOYSA-N
XLogP-0.24
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxooxolan-3-yl)imidazole-1-carboxamide?
The IUPAC name of N-(2-oxooxolan-3-yl)imidazole-1-carboxamide (CID 68958382) is N-(2-oxooxolan-3-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2-oxooxolan-3-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(2-oxooxolan-3-yl)imidazole-1-carboxamide is O=C1OCCC1NC(=O)n1ccnc1.
What is the InChIKey of N-(2-oxooxolan-3-yl)imidazole-1-carboxamide?
The InChIKey is YENBWYPIZNXWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-7-6(1-4-14-7)10-8(13)11-3-2-9-5-11/h2-3,5-6H,1,4H2,(H,10,13).
What are the key properties of N-(2-oxooxolan-3-yl)imidazole-1-carboxamide?
N-(2-oxooxolan-3-yl)imidazole-1-carboxamide has a molecular weight of 195.18 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxooxolan-3-yl)imidazole-1-carboxamide is sourced from PubChem (CID 68958382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).