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

C16H20N2O4 — CID 19442847

IUPAC4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCNC(=O)c1noc(C)c1COc1ccccc1OC
InChIInChI=1S/C16H20N2O4/c1-4-9-17-16(19)15-12(11(2)22-18-15)10-21-14-8-6-5-7-13(14)20-3/h5-8H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyDJAQERGXSDGKOL-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.71
Rot. Bonds7

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

4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide (PubChem CID 19442847) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
PubChem CID19442847
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
SMILESCCCNC(=O)c1noc(C)c1COc1ccccc1OC
InChIInChI=1S/C16H20N2O4/c1-4-9-17-16(19)15-12(11(2)22-18-15)10-21-14-8-6-5-7-13(14)20-3/h5-8H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyDJAQERGXSDGKOL-UHFFFAOYSA-N
XLogP2.71
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-fluorophenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide
CID 19490221
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazole-3-carboxamide
CID 19442830
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19442790
4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19490600
N-(2-fluoro-5-methylphenyl)-4-[(2-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442833
4-[(2-fluorophenoxy)methyl]-5-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 19492841
4-[(2-fluorophenoxy)methyl]-5-methyl-N-phenyl-1,2-oxazole-3-carboxamide
CID 19490191
N-(2-methoxyphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488591
N-(4-methoxyphenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443003
N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442893
N-cycloheptyl-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492794
N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 30544768

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide (CID 19442847) is 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide is CCCNC(=O)c1noc(C)c1COc1ccccc1OC.
What is the InChIKey of 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is DJAQERGXSDGKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-9-17-16(19)15-12(11(2)22-18-15)10-21-14-8-6-5-7-13(14)20-3/h5-8H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide?
4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenoxy)methyl]-5-methyl-N-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19442847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).