4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide

C21H20N2O4 — CID 131932451

IUPAC4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCC1CCCO1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C21H20N2O4/c24-21(16-9-7-15(8-10-16)20-12-22-14-27-20)23-18-5-1-2-6-19(18)26-13-17-4-3-11-25-17/h1-2,5-10,12,14,17H,3-4,11,13H2,(H,23,24)
InChIKeyRMWKYEUGMJLRGL-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.15
Rot. Bonds6

About 4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide

4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide (PubChem CID 131932451) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
PubChem CID131932451
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
SMILESO=C(Nc1ccccc1OCC1CCCO1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C21H20N2O4/c24-21(16-9-7-15(8-10-16)20-12-22-14-27-20)23-18-5-1-2-6-19(18)26-13-17-4-3-11-25-17/h1-2,5-10,12,14,17H,3-4,11,13H2,(H,23,24)
InChIKeyRMWKYEUGMJLRGL-UHFFFAOYSA-N
XLogP4.15
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
4-(2-methyltetrazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 131903658
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 131932626
N-[2-(oxolan-2-ylmethoxy)phenyl]-3-pyrazol-1-ylbenzamide
CID 131895389
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 131919040

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The IUPAC name of 4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide (CID 131932451) is 4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The canonical SMILES for 4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide is O=C(Nc1ccccc1OCC1CCCO1)c1ccc(-c2cnco2)cc1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
The InChIKey is RMWKYEUGMJLRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-21(16-9-7-15(8-10-16)20-12-22-14-27-20)23-18-5-1-2-6-19(18)26-13-17-4-3-11-25-17/h1-2,5-10,12,14,17H,3-4,11,13H2,(H,23,24).
What are the key properties of 4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide?
4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide has a molecular weight of 364.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide is sourced from PubChem (CID 131932451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).