[4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate

C17H19FN2O4 — CID 154637249

IUPAC[4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
SMILESCN(C(=O)OCc1ocnc1-c1ccc(O)c(F)c1)C1CCCC1
InChIInChI=1S/C17H19FN2O4/c1-20(12-4-2-3-5-12)17(22)23-9-15-16(19-10-24-15)11-6-7-14(21)13(18)8-11/h6-8,10,12,21H,2-5,9H2,1H3
InChIKeyQJOPLVJCTMYBNR-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.70
Rot. Bonds4

About [4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate

[4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate (PubChem CID 154637249) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is [4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate.

Molecular Properties

Compound Name[4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
PubChem CID154637249
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name[4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
SMILESCN(C(=O)OCc1ocnc1-c1ccc(O)c(F)c1)C1CCCC1
InChIInChI=1S/C17H19FN2O4/c1-20(12-4-2-3-5-12)17(22)23-9-15-16(19-10-24-15)11-6-7-14(21)13(18)8-11/h6-8,10,12,21H,2-5,9H2,1H3
InChIKeyQJOPLVJCTMYBNR-UHFFFAOYSA-N
XLogP3.70
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
CID 155009592
[4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
CID 155009515
[4-(5-bromo-2-pyridinyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
CID 154637265
[4-(4-bromo-3-fluorocyclohex-2-en-1-yl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
CID 166852979
N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
CID 66683058
[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
CID 167131352
propan-2-yl (1S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluorophenoxy]cyclohexane-1-carboxylate
CID 166853089
trans-(1S,3S)-3-[4-[4-[[[cyclopentyl(methyl)carbamoyl]amino]methyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-5-methyl-1,2-oxazol-3-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[3-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,2-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1,3-oxazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 163807560
3-[[4-[4-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-3-methyl-1,2-oxazol-5-yl]phenoxy]methyl]cyclobutane-1-carboxylic acid
CID 155415126
N-[6-[4-(2-aminopropan-2-yl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;methyl N-cyclohexyl-N-methylcarbamate
CID 145109235
[4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
CID 155009536
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The IUPAC name of [4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate (CID 154637249) is [4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate.
What is the SMILES notation for [4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The canonical SMILES for [4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate is CN(C(=O)OCc1ocnc1-c1ccc(O)c(F)c1)C1CCCC1.
What is the InChIKey of [4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The InChIKey is QJOPLVJCTMYBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-20(12-4-2-3-5-12)17(22)23-9-15-16(19-10-24-15)11-6-7-14(21)13(18)8-11/h6-8,10,12,21H,2-5,9H2,1H3.
What are the key properties of [4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
[4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate has a molecular weight of 334.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate is sourced from PubChem (CID 154637249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).