N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide

C12H19N3O4 — CID 155982619

IUPACN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide
SMILESCCc1nccn1CC(=O)N[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C12H19N3O4/c1-2-10-13-3-4-15(10)5-11(17)14-8-6-19-7-9(16)12(8)18/h3-4,8-9,12,16,18H,2,5-7H2,1H3,(H,14,17)/t8-,9-,12+/m1/s1
InChIKeyAEYPHJXOYQKEQA-LNLATYFQSA-N
MW269.30 g/mol
LogP-1.32
Rot. Bonds4

About N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide

N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide (PubChem CID 155982619) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide
PubChem CID155982619
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide
SMILESCCc1nccn1CC(=O)N[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C12H19N3O4/c1-2-10-13-3-4-15(10)5-11(17)14-8-6-19-7-9(16)12(8)18/h3-4,8-9,12,16,18H,2,5-7H2,1H3,(H,14,17)/t8-,9-,12+/m1/s1
InChIKeyAEYPHJXOYQKEQA-LNLATYFQSA-N
XLogP-1.32
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide (CID 155982619) is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide is CCc1nccn1CC(=O)N[C@@H]1COC[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide?
The InChIKey is AEYPHJXOYQKEQA-LNLATYFQSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-10-13-3-4-15(10)5-11(17)14-8-6-19-7-9(16)12(8)18/h3-4,8-9,12,16,18H,2,5-7H2,1H3,(H,14,17)/t8-,9-,12+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide?
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide has a molecular weight of 269.30 g/mol, XLogP of -1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide is sourced from PubChem (CID 155982619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).