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

C14H16N2O4 — CID 110682600

IUPACN-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnoc2C)cc1
InChIInChI=1S/C14H16N2O4/c1-10-13(9-16-20-10)14(17)15-7-8-19-12-5-3-11(18-2)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyCYNVNHMAASNPBZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.80
Rot. Bonds6

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

N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110682600) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID110682600
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cnoc2C)cc1
InChIInChI=1S/C14H16N2O4/c1-10-13(9-16-20-10)14(17)15-7-8-19-12-5-3-11(18-2)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyCYNVNHMAASNPBZ-UHFFFAOYSA-N
XLogP1.80
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 114297508
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915
N-[2-(4-methoxyphenoxy)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691288
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-[2-(4-methoxyphenoxy)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 51232739
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
CID 7189406
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390918
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 110682600) is N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(OCCNC(=O)c2cnoc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is CYNVNHMAASNPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-10-13(9-16-20-10)14(17)15-7-8-19-12-5-3-11(18-2)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110682600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).