N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

C18H22N2O3 — CID 19442893

IUPACN-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1OCc1c(C(=O)NC2CCCC2)noc1C
InChIInChI=1S/C18H22N2O3/c1-12-7-3-6-10-16(12)22-11-15-13(2)23-20-17(15)18(21)19-14-8-4-5-9-14/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3,(H,19,21)
InChIKeyYQXSDCADOCTRCB-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.54
Rot. Bonds5

About N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19442893) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19442893
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1OCc1c(C(=O)NC2CCCC2)noc1C
InChIInChI=1S/C18H22N2O3/c1-12-7-3-6-10-16(12)22-11-15-13(2)23-20-17(15)18(21)19-14-8-4-5-9-14/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3,(H,19,21)
InChIKeyYQXSDCADOCTRCB-UHFFFAOYSA-N
XLogP3.54
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492794
N-cyclohexyl-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486426
N-cycloheptyl-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488509
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443193
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 19490314
N-(2,4-difluorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442939
N-(4-methoxyphenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443003
4-[(2,5-dimethylphenoxy)methyl]-5-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole-3-carboxamide
CID 19444856
4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19490600
N-[1-(4-tert-butylphenyl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443024
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443092
4-[(2-fluorophenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 19490221

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19442893) is N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is Cc1ccccc1OCc1c(C(=O)NC2CCCC2)noc1C.
What is the InChIKey of N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YQXSDCADOCTRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-7-3-6-10-16(12)22-11-15-13(2)23-20-17(15)18(21)19-14-8-4-5-9-14/h3,6-7,10,14H,4-5,8-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19442893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).