3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide

C14H14N2O3 — CID 43911392

IUPAC3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESC=CCOc1ccccc1NC(=O)c1cc(C)no1
InChIInChI=1S/C14H14N2O3/c1-3-8-18-12-7-5-4-6-11(12)15-14(17)13-9-10(2)16-19-13/h3-7,9H,1,8H2,2H3,(H,15,17)
InChIKeyGYEUROIOUVBHEW-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.80
Rot. Bonds5

About 3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide

3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 43911392) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide
PubChem CID43911392
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide
SMILESC=CCOc1ccccc1NC(=O)c1cc(C)no1
InChIInChI=1S/C14H14N2O3/c1-3-8-18-12-7-5-4-6-11(12)15-14(17)13-9-10(2)16-19-13/h3-7,9H,1,8H2,2H3,(H,15,17)
InChIKeyGYEUROIOUVBHEW-UHFFFAOYSA-N
XLogP2.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201
3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 34746741
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
3-iodo-4-methyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097969
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
4-phenyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097892
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011
3-iodo-4-methyl-N-[(2-prop-2-enoxyphenyl)carbamothioyl]benzamide
CID 17098260

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide (CID 43911392) is 3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide is C=CCOc1ccccc1NC(=O)c1cc(C)no1.
What is the InChIKey of 3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is GYEUROIOUVBHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-8-18-12-7-5-4-6-11(12)15-14(17)13-9-10(2)16-19-13/h3-7,9H,1,8H2,2H3,(H,15,17).
What are the key properties of 3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43911392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).