N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide

C11H17N3O3 — CID 122559435

IUPACN-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1ncc(C)[nH]1
InChIInChI=1S/C11H17N3O3/c1-3-17-9-6-16-5-8(9)14-11(15)10-12-4-7(2)13-10/h4,8-9H,3,5-6H2,1-2H3,(H,12,13)(H,14,15)/t8-,9-/m0/s1
InChIKeyKNWYZBXUOUMCOW-IUCAKERBSA-N
MW239.27 g/mol
LogP0.25
Rot. Bonds4

About N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 122559435) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID122559435
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1ncc(C)[nH]1
InChIInChI=1S/C11H17N3O3/c1-3-17-9-6-16-5-8(9)14-11(15)10-12-4-7(2)13-10/h4,8-9H,3,5-6H2,1-2H3,(H,12,13)(H,14,15)/t8-,9-/m0/s1
InChIKeyKNWYZBXUOUMCOW-IUCAKERBSA-N
XLogP0.25
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide (CID 122559435) is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide is CCO[C@H]1COC[C@@H]1NC(=O)c1ncc(C)[nH]1.
What is the InChIKey of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is KNWYZBXUOUMCOW-IUCAKERBSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-17-9-6-16-5-8(9)14-11(15)10-12-4-7(2)13-10/h4,8-9H,3,5-6H2,1-2H3,(H,12,13)(H,14,15)/t8-,9-/m0/s1.
What are the key properties of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 122559435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).