5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

C15H18N2O5 — CID 60593102

IUPAC5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1cc(C)on1
InChIInChI=1S/C15H18N2O5/c1-9-5-11(17-22-9)15(18)16-8-10-6-13(20-3)14(21-4)7-12(10)19-2/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyFXIHXENKJRDNDL-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.94
Rot. Bonds6

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

5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 60593102) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID60593102
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1cc(C)on1
InChIInChI=1S/C15H18N2O5/c1-9-5-11(17-22-9)15(18)16-8-10-6-13(20-3)14(21-4)7-12(10)19-2/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyFXIHXENKJRDNDL-UHFFFAOYSA-N
XLogP1.94
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42515365
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 99780009
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 60607130
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
CID 59224444
2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275
N-[(2-methoxyphenyl)methyl]-4-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109212040
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
N-(2-amino-2-oxoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 60668189
methyl 2-bromo-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 103492671

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 60593102) is 5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)c1cc(C)on1.
What is the InChIKey of 5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FXIHXENKJRDNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-9-5-11(17-22-9)15(18)16-8-10-6-13(20-3)14(21-4)7-12(10)19-2/h5-7H,8H2,1-4H3,(H,16,18).
What are the key properties of 5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60593102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).