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

C22H22N2O4 — CID 131932626

IUPAC5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C22H22N2O4/c1-15-20(21(24-28-15)16-8-3-2-4-9-16)22(25)23-18-11-5-6-12-19(18)27-14-17-10-7-13-26-17/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3,(H,23,25)
InChIKeyVQCMXVSIYUOQIY-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.46
Rot. Bonds6

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

5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 131932626) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID131932626
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C22H22N2O4/c1-15-20(21(24-28-15)16-8-3-2-4-9-16)22(25)23-18-11-5-6-12-19(18)27-14-17-10-7-13-26-17/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3,(H,23,25)
InChIKeyVQCMXVSIYUOQIY-UHFFFAOYSA-N
XLogP4.46
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 131919040
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
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
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
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
4-(1,3-oxazol-5-yl)-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 131932451

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 131932626) is 5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1OCC1CCCO1.
What is the InChIKey of 5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is VQCMXVSIYUOQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-20(21(24-28-15)16-8-3-2-4-9-16)22(25)23-18-11-5-6-12-19(18)27-14-17-10-7-13-26-17/h2-6,8-9,11-12,17H,7,10,13-14H2,1H3,(H,23,25).
What are the key properties of 5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 131932626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).