3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide

C25H28N2O4 — CID 46969650

IUPAC3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1noc(C)c1C(=O)NCC1(c2ccc(C)cc2)CCOCC1
InChIInChI=1S/C25H28N2O4/c1-17-8-10-19(11-9-17)25(12-14-30-15-13-25)16-26-24(28)22-18(2)31-27-23(22)20-6-4-5-7-21(20)29-3/h4-11H,12-16H2,1-3H3,(H,26,28)
InChIKeyZMUXONSKYZZRFY-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.45
Rot. Bonds6

About 3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide

3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 46969650) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID46969650
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1noc(C)c1C(=O)NCC1(c2ccc(C)cc2)CCOCC1
InChIInChI=1S/C25H28N2O4/c1-17-8-10-19(11-9-17)25(12-14-30-15-13-25)16-26-24(28)22-18(2)31-27-23(22)20-6-4-5-7-21(20)29-3/h4-11H,12-16H2,1-3H3,(H,26,28)
InChIKeyZMUXONSKYZZRFY-UHFFFAOYSA-N
XLogP4.45
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
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3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
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3-(2-methoxyphenyl)-5-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 46957473
3-(2-chlorophenyl)-5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 72717000
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
N'-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27452518
2-ethoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448887
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2,3-dimethoxybenzamide
CID 27449051
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
3-(2-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 111539535
3-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24818298

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide (CID 46969650) is 3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide is COc1ccccc1-c1noc(C)c1C(=O)NCC1(c2ccc(C)cc2)CCOCC1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ZMUXONSKYZZRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-17-8-10-19(11-9-17)25(12-14-30-15-13-25)16-26-24(28)22-18(2)31-27-23(22)20-6-4-5-7-21(20)29-3/h4-11H,12-16H2,1-3H3,(H,26,28).
What are the key properties of 3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide?
3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-methyl-N-[[4-(4-methylphenyl)oxan-4-yl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46969650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).