benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate

C16H18N4O5 — CID 163673900

IUPACbenzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate
SMILESNC(=O)c1ncn([C@H]2CC[C@@H](COC(=O)OCc3ccccc3)O2)n1
InChIInChI=1S/C16H18N4O5/c17-14(21)15-18-10-20(19-15)13-7-6-12(25-13)9-24-16(22)23-8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H2,17,21)/t12-,13+/m0/s1
InChIKeyJEYWPAYMPHHFIA-QWHCGFSZSA-N
MW346.34 g/mol
LogP1.41
Rot. Bonds6

About benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate

benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate (PubChem CID 163673900) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate.

Molecular Properties

Compound Namebenzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate
PubChem CID163673900
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Namebenzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate
SMILESNC(=O)c1ncn([C@H]2CC[C@@H](COC(=O)OCc3ccccc3)O2)n1
InChIInChI=1S/C16H18N4O5/c17-14(21)15-18-10-20(19-15)13-7-6-12(25-13)9-24-16(22)23-8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H2,17,21)/t12-,13+/m0/s1
InChIKeyJEYWPAYMPHHFIA-QWHCGFSZSA-N
XLogP1.41
TPSA118.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
CID 146511897
benzyl [(3S)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl carbonate
CID 59034330
benzyl [(5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl carbonate
CID 59892669
1-[5-(aminomethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
CID 146511172
benzyl oxiran-2-ylmethyl carbonate
CID 88672245
[5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-phenylmethoxypropanoate
CID 21345023
bis(phenylmethoxycarbonyl) 1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylate
CID 134590867
[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
CID 125485988
[(2S,5R)-5-[6-(dibenzoylamino)purin-9-yl]oxolan-2-yl]methyl benzoate
CID 71130637
benzyl carbamate;cyclohexanecarbaldehyde
CID 142103337
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
bis[[(2R,3R,4S)-4-fluoro-5-hydroxy-3-phenylmethoxycarbonyloxyoxolan-2-yl]methyl] carbonate
CID 118108955

Frequently Asked Questions

What is the IUPAC name of benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate?
The IUPAC name of benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate (CID 163673900) is benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate.
What is the SMILES notation for benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate?
The canonical SMILES for benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate is NC(=O)c1ncn([C@H]2CC[C@@H](COC(=O)OCc3ccccc3)O2)n1.
What is the InChIKey of benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate?
The InChIKey is JEYWPAYMPHHFIA-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H18N4O5/c17-14(21)15-18-10-20(19-15)13-7-6-12(25-13)9-24-16(22)23-8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H2,17,21)/t12-,13+/m0/s1.
What are the key properties of benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate?
benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate has a molecular weight of 346.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(2S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)oxolan-2-yl]methyl carbonate is sourced from PubChem (CID 163673900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).