2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide

C19H19N3O3 — CID 5006646

IUPAC2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1coc(-c2ccccc2N)n1
InChIInChI=1S/C19H19N3O3/c1-2-24-17-10-6-3-7-13(17)11-21-18(23)16-12-25-19(22-16)14-8-4-5-9-15(14)20/h3-10,12H,2,11,20H2,1H3,(H,21,23)
InChIKeyDNOJYNDIHCTXKI-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.25
Rot. Bonds6

About 2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide

2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 5006646) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID5006646
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1coc(-c2ccccc2N)n1
InChIInChI=1S/C19H19N3O3/c1-2-24-17-10-6-3-7-13(17)11-21-18(23)16-12-25-19(22-16)14-8-4-5-9-15(14)20/h3-10,12H,2,11,20H2,1H3,(H,21,23)
InChIKeyDNOJYNDIHCTXKI-UHFFFAOYSA-N
XLogP3.25
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3468332
2-(2-aminophenyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3295381
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3674009
2-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3597833
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3813364
2-(2-aminophenyl)-N-[4-[(4-aminophenyl)methyl]phenyl]-1,3-oxazole-4-carboxamide
CID 3859588
N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046553
2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 5006646) is 2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide is CCOc1ccccc1CNC(=O)c1coc(-c2ccccc2N)n1.
What is the InChIKey of 2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DNOJYNDIHCTXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-24-17-10-6-3-7-13(17)11-21-18(23)16-12-25-19(22-16)14-8-4-5-9-15(14)20/h3-10,12H,2,11,20H2,1H3,(H,21,23).
What are the key properties of 2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5006646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).