2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide

C9H13N3O4 — CID 67354949

IUPAC2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1cnc([C@@H]2C[C@@H](O)[C@H](CO)O2)[nH]1
InChIInChI=1S/C9H13N3O4/c10-8(15)4-2-11-9(12-4)6-1-5(14)7(3-13)16-6/h2,5-7,13-14H,1,3H2,(H2,10,15)(H,11,12)/t5-,6+,7+/m1/s1
InChIKeyIZVXCJOPSZFPSB-VQVTYTSYSA-N
MW227.22 g/mol
LogP-1.31
Rot. Bonds3

About 2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide

2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 67354949) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID67354949
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1cnc([C@@H]2C[C@@H](O)[C@H](CO)O2)[nH]1
InChIInChI=1S/C9H13N3O4/c10-8(15)4-2-11-9(12-4)6-1-5(14)7(3-13)16-6/h2,5-7,13-14H,1,3H2,(H2,10,15)(H,11,12)/t5-,6+,7+/m1/s1
InChIKeyIZVXCJOPSZFPSB-VQVTYTSYSA-N
XLogP-1.31
TPSA121.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide (CID 67354949) is 2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide is NC(=O)c1cnc([C@@H]2C[C@@H](O)[C@H](CO)O2)[nH]1.
What is the InChIKey of 2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is IZVXCJOPSZFPSB-VQVTYTSYSA-N. The full InChI is InChI=1S/C9H13N3O4/c10-8(15)4-2-11-9(12-4)6-1-5(14)7(3-13)16-6/h2,5-7,13-14H,1,3H2,(H2,10,15)(H,11,12)/t5-,6+,7+/m1/s1.
What are the key properties of 2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide?
2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 227.22 g/mol, XLogP of -1.31, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 67354949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).