[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate

C23H30N2O4 — CID 167131352

IUPAC[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
SMILESCc1noc(-c2ccc(OC3CCCCC3)cc2)c1COC(=O)N(C)C1CCC1
InChIInChI=1S/C23H30N2O4/c1-16-21(15-27-23(26)25(2)18-7-6-8-18)22(29-24-16)17-11-13-20(14-12-17)28-19-9-4-3-5-10-19/h11-14,18-19H,3-10,15H2,1-2H3
InChIKeyOZHJXUVOAMANRP-UHFFFAOYSA-N
MW398.50 g/mol
LogP5.48
Rot. Bonds6

About [5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate

[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate (PubChem CID 167131352) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is [5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate.

Molecular Properties

Compound Name[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
PubChem CID167131352
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
SMILESCc1noc(-c2ccc(OC3CCCCC3)cc2)c1COC(=O)N(C)C1CCC1
InChIInChI=1S/C23H30N2O4/c1-16-21(15-27-23(26)25(2)18-7-6-8-18)22(29-24-16)17-11-13-20(14-12-17)28-19-9-4-3-5-10-19/h11-14,18-19H,3-10,15H2,1-2H3
InChIKeyOZHJXUVOAMANRP-UHFFFAOYSA-N
XLogP5.48
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate?
The IUPAC name of [5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate (CID 167131352) is [5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate.
What is the SMILES notation for [5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate?
The canonical SMILES for [5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate is Cc1noc(-c2ccc(OC3CCCCC3)cc2)c1COC(=O)N(C)C1CCC1.
What is the InChIKey of [5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate?
The InChIKey is OZHJXUVOAMANRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16-21(15-27-23(26)25(2)18-7-6-8-18)22(29-24-16)17-11-13-20(14-12-17)28-19-9-4-3-5-10-19/h11-14,18-19H,3-10,15H2,1-2H3.
What are the key properties of [5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate?
[5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate has a molecular weight of 398.50 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclohexyloxyphenyl)-3-methyl-1,2-oxazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate is sourced from PubChem (CID 167131352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).