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

C9H13N3O4 — CID 67312306

IUPAC1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(C2C[C@H](O)[C@@H](CO)O2)cn1
InChIInChI=1S/C9H13N3O4/c10-9(15)5-2-12(4-11-5)8-1-6(14)7(3-13)16-8/h2,4,6-8,13-14H,1,3H2,(H2,10,15)/t6-,7+,8?/m0/s1
InChIKeyJZTCJRMDKBFLOO-KJFJCRTCSA-N
MW227.22 g/mol
LogP-1.38
Rot. Bonds3

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

1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide (PubChem CID 67312306) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
PubChem CID67312306
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(C2C[C@H](O)[C@@H](CO)O2)cn1
InChIInChI=1S/C9H13N3O4/c10-9(15)5-2-12(4-11-5)8-1-6(14)7(3-13)16-8/h2,4,6-8,13-14H,1,3H2,(H2,10,15)/t6-,7+,8?/m0/s1
InChIKeyJZTCJRMDKBFLOO-KJFJCRTCSA-N
XLogP-1.38
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 91292674
(2R,3S,5R)-5-[4-(4-aminopyrimidin-5-yl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 102307356
1-[(1S,2S)-2-hydroxycyclohexyl]imidazole-4-carboxamide
CID 141069706
(2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 132564643
(2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol
CID 101024789
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
5-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carbohydrazide
CID 10563073
6-amino-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
CID 131850230
4-amino-8-[(4S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 142827493
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one;butanedioic acid
CID 53241413
(4S,5S)-4,5-dihydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxoimidazolidine-1-carboxamide
CID 100968712
4-acetamido-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxamide
CID 174190900

Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide (CID 67312306) is 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide is NC(=O)c1cn(C2C[C@H](O)[C@@H](CO)O2)cn1.
What is the InChIKey of 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?
The InChIKey is JZTCJRMDKBFLOO-KJFJCRTCSA-N. The full InChI is InChI=1S/C9H13N3O4/c10-9(15)5-2-12(4-11-5)8-1-6(14)7(3-13)16-8/h2,4,6-8,13-14H,1,3H2,(H2,10,15)/t6-,7+,8?/m0/s1.
What are the key properties of 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide?
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide has a molecular weight of 227.22 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 67312306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).