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

C20H24N2O4 — CID 155009592

IUPAC[4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
SMILESC=CCc1cc(-c2ncoc2COC(=O)N(C)C2CCCC2)ccc1O
InChIInChI=1S/C20H24N2O4/c1-3-6-14-11-15(9-10-17(14)23)19-18(26-13-21-19)12-25-20(24)22(2)16-7-4-5-8-16/h3,9-11,13,16,23H,1,4-8,12H2,2H3
InChIKeyNKRBMGMICHBUAZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.29
Rot. Bonds6

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

[4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate (PubChem CID 155009592) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is [4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate.

Molecular Properties

Compound Name[4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
PubChem CID155009592
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name[4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
SMILESC=CCc1cc(-c2ncoc2COC(=O)N(C)C2CCCC2)ccc1O
InChIInChI=1S/C20H24N2O4/c1-3-6-14-11-15(9-10-17(14)23)19-18(26-13-21-19)12-25-20(24)22(2)16-7-4-5-8-16/h3,9-11,13,16,23H,1,4-8,12H2,2H3
InChIKeyNKRBMGMICHBUAZ-UHFFFAOYSA-N
XLogP4.29
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The IUPAC name of [4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate (CID 155009592) is [4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate.
What is the SMILES notation for [4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The canonical SMILES for [4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate is C=CCc1cc(-c2ncoc2COC(=O)N(C)C2CCCC2)ccc1O.
What is the InChIKey of [4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The InChIKey is NKRBMGMICHBUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-6-14-11-15(9-10-17(14)23)19-18(26-13-21-19)12-25-20(24)22(2)16-7-4-5-8-16/h3,9-11,13,16,23H,1,4-8,12H2,2H3.
What are the key properties of [4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
[4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate has a molecular weight of 356.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxy-3-prop-2-enylphenyl)-1,3-oxazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate is sourced from PubChem (CID 155009592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).