propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate

C17H19FN2O5 — CID 177334694

IUPACpropan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate
SMILESCC(C)OC(=O)OCOC(=O)c1cncn1[C@H](C)c1ccccc1F
InChIInChI=1S/C17H19FN2O5/c1-11(2)25-17(22)24-10-23-16(21)15-8-19-9-20(15)12(3)13-6-4-5-7-14(13)18/h4-9,11-12H,10H2,1-3H3/t12-/m1/s1
InChIKeyUTFJAFAELVJKRN-GFCCVEGCSA-N
MW350.35 g/mol
LogP3.31
Rot. Bonds6

About propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate

propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate (PubChem CID 177334694) has the molecular formula C17H19FN2O5 and a molecular weight of 350.35 g/mol. Its IUPAC name is propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate
PubChem CID177334694
Molecular FormulaC17H19FN2O5
Molecular Weight350.35 g/mol
Exact Mass350.13
IUPAC Namepropan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate
SMILESCC(C)OC(=O)OCOC(=O)c1cncn1[C@H](C)c1ccccc1F
InChIInChI=1S/C17H19FN2O5/c1-11(2)25-17(22)24-10-23-16(21)15-8-19-9-20(15)12(3)13-6-4-5-7-14(13)18/h4-9,11-12H,10H2,1-3H3/t12-/m1/s1
InChIKeyUTFJAFAELVJKRN-GFCCVEGCSA-N
XLogP3.31
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-propan-2-yloxycarbonyloxypropyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 174877574
methoxycarbonyloxymethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 154601739
(2-methyl-3-oxopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 129313659
[(2S)-1-methoxy-1-oxopropan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 71657703
(3-oxo-2-phenylbutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 118246219
ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate
CID 177334567
2-methylpropyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate
CID 177334632
(3-methoxycarbonyloxetan-3-yl)methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 78140425
(2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 118246213
[1-(methylsulfanylmethyl)cyclopropyl]methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325814
2-methylpropyl 3-[1-(4-phenylmethoxyphenyl)ethyl]imidazole-4-carboxylate
CID 177334658
ethyl 3-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]imidazole-4-carboxylate
CID 138514748

Frequently Asked Questions

What is the IUPAC name of propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate?
The IUPAC name of propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate (CID 177334694) is propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate is CC(C)OC(=O)OCOC(=O)c1cncn1[C@H](C)c1ccccc1F.
What is the InChIKey of propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate?
The InChIKey is UTFJAFAELVJKRN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN2O5/c1-11(2)25-17(22)24-10-23-16(21)15-8-19-9-20(15)12(3)13-6-4-5-7-14(13)18/h4-9,11-12H,10H2,1-3H3/t12-/m1/s1.
What are the key properties of propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate?
propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate has a molecular weight of 350.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxycarbonyloxymethyl 3-[(1R)-1-(2-fluorophenyl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 177334694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).