N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide

C11H18N4O3 — CID 75536509

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O
InChIInChI=1S/C11H18N4O3/c1-7(16)13-4-10-11(17)9(5-18-10)14-3-8-2-12-6-15-8/h2,6,9-11,14,17H,3-5H2,1H3,(H,12,15)(H,13,16)/t9-,10-,11+/m1/s1
InChIKeyMRFZBXUOTHZQNR-MXWKQRLJSA-N
MW254.29 g/mol
LogP-1.24
Rot. Bonds5

About N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide

N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide (PubChem CID 75536509) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide
PubChem CID75536509
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O
InChIInChI=1S/C11H18N4O3/c1-7(16)13-4-10-11(17)9(5-18-10)14-3-8-2-12-6-15-8/h2,6,9-11,14,17H,3-5H2,1H3,(H,12,15)(H,13,16)/t9-,10-,11+/m1/s1
InChIKeyMRFZBXUOTHZQNR-MXWKQRLJSA-N
XLogP-1.24
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(2R,3S,4R)-4-[bis(1H-imidazol-5-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536487
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 75536566
1-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536736
1-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536737
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]-2-methoxyacetamide
CID 86769414
1-ribosyl-N-acetylhistamine
CID 129892014
N-[rac-(3S,4R)-4-ethoxytetrahydrofuran-3-yl]-4-methyl-1H-imidazole-2-carboxamide
CID 122559435
1-[12,13-dihydroxy-6-(1H-imidazol-5-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-9-yl]ethanone
CID 172640797
Ethanone, 1-[(11R,12R,13R)-12,13-dihydroxy-6-(1H-imidazol-5-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-9-yl]-, rel-
CID 177842983
N-[(3R,4S,5S)-5-[amino(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazole-5-carboxamide
CID 53987068
N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(dimethylaminomethylideneamino)-1H-imidazole-5-carboxamide
CID 53999099
N-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
CID 54077895

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide (CID 75536509) is N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1OC[C@@H](NCc2cnc[nH]2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide?
The InChIKey is MRFZBXUOTHZQNR-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7(16)13-4-10-11(17)9(5-18-10)14-3-8-2-12-6-15-8/h2,6,9-11,14,17H,3-5H2,1H3,(H,12,15)(H,13,16)/t9-,10-,11+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of -1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-5-ylmethylamino)oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 75536509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).