[4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate

C21H26N2O3 — CID 155009515

IUPAC[4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
SMILESC=CCc1cc(-c2ncoc2COC(=O)N(C)C2CCCC2)ccc1C
InChIInChI=1S/C21H26N2O3/c1-4-7-16-12-17(11-10-15(16)2)20-19(26-14-22-20)13-25-21(24)23(3)18-8-5-6-9-18/h4,10-12,14,18H,1,5-9,13H2,2-3H3
InChIKeySLDIUKCURHZQIR-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.89
Rot. Bonds6

About [4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate

[4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate (PubChem CID 155009515) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate.

Molecular Properties

Compound Name[4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
PubChem CID155009515
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
SMILESC=CCc1cc(-c2ncoc2COC(=O)N(C)C2CCCC2)ccc1C
InChIInChI=1S/C21H26N2O3/c1-4-7-16-12-17(11-10-15(16)2)20-19(26-14-22-20)13-25-21(24)23(3)18-8-5-6-9-18/h4,10-12,14,18H,1,5-9,13H2,2-3H3
InChIKeySLDIUKCURHZQIR-UHFFFAOYSA-N
XLogP4.89
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-(3-fluoro-4-hydroxyphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
CID 154637249
[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
[4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
CID 155009536
[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
CID 167131352
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
2-amino-N-cyclopentyl-2-(4-methylphenyl)-N-prop-2-enylacetamide
CID 106312192
pentyl N-cyclohexyl-N-methylcarbamate
CID 141208819
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 112788449
N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide
CID 717036

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The IUPAC name of [4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate (CID 155009515) is [4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate.
What is the SMILES notation for [4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The canonical SMILES for [4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate is C=CCc1cc(-c2ncoc2COC(=O)N(C)C2CCCC2)ccc1C.
What is the InChIKey of [4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The InChIKey is SLDIUKCURHZQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-7-16-12-17(11-10-15(16)2)20-19(26-14-22-20)13-25-21(24)23(3)18-8-5-6-9-18/h4,10-12,14,18H,1,5-9,13H2,2-3H3.
What are the key properties of [4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
[4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate has a molecular weight of 354.45 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate is sourced from PubChem (CID 155009515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).