N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H20N2O3 — CID 17095630

IUPACN-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC(c2ccc(OC)cc2)=NO1
InChIInChI=1S/C19H20N2O3/c1-3-13-6-4-5-7-16(13)20-19(22)18-12-17(21-24-18)14-8-10-15(23-2)11-9-14/h4-11,18H,3,12H2,1-2H3,(H,20,22)
InChIKeyXFJIAOWQKRHWAL-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.39
Rot. Bonds5

About N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095630) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095630
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCc1ccccc1NC(=O)C1CC(c2ccc(OC)cc2)=NO1
InChIInChI=1S/C19H20N2O3/c1-3-13-6-4-5-7-16(13)20-19(22)18-12-17(21-24-18)14-8-10-15(23-2)11-9-14/h4-11,18H,3,12H2,1-2H3,(H,20,22)
InChIKeyXFJIAOWQKRHWAL-UHFFFAOYSA-N
XLogP3.39
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-Methoxyphenyl)methyl]-2(1H)-quinoxalinone
CID 9269643
N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 17095631
N-(4-fluorobenzyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237488
N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3238182
3-(4-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16193898
2-(4-methoxybenzyloxy)-N8-hydroxy-N1-phenyloctanediamide
CID 24779722
(2S)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide
CID 25065102
(2R)-N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenyloctanediamide
CID 25065309
N'-hydroxy-2-[(3-methoxyphenyl)methoxy]-N-phenyloctanediamide
CID 25066137
2-(benzyloxy)-N8-hydroxy-N1-(4-methoxyphenyl)octanediamide
CID 25066140
2-(4-methoxybenzyloxy)-N8-hydroxy-N1-(4-methoxyphenyl)octanediamide
CID 25066350
N-hydroxy-2-[4-[[2-(4-octylphenoxy)acetyl]amino]phenyl]acetamide
CID 134519174

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095630) is N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCc1ccccc1NC(=O)C1CC(c2ccc(OC)cc2)=NO1.
What is the InChIKey of N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is XFJIAOWQKRHWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-3-13-6-4-5-7-16(13)20-19(22)18-12-17(21-24-18)14-8-10-15(23-2)11-9-14/h4-11,18H,3,12H2,1-2H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).