3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide

C18H22N2O4 — CID 131919040

IUPAC3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C18H22N2O4/c1-3-14-17(12(2)24-20-14)18(21)19-15-8-4-5-9-16(15)23-11-13-7-6-10-22-13/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyZPZNACBDJKCPRW-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.36
Rot. Bonds6

About 3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 131919040) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID131919040
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C18H22N2O4/c1-3-14-17(12(2)24-20-14)18(21)19-15-8-4-5-9-16(15)23-11-13-7-6-10-22-13/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,19,21)
InChIKeyZPZNACBDJKCPRW-UHFFFAOYSA-N
XLogP3.36
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 131932626
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
3-ethyl-5-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 94615559
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
3-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 17170320

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide (CID 131919040) is 3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1ccccc1OCC1CCCO1.
What is the InChIKey of 3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ZPZNACBDJKCPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-14-17(12(2)24-20-14)18(21)19-15-8-4-5-9-16(15)23-11-13-7-6-10-22-13/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,19,21).
What are the key properties of 3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 131919040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).