2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide

C20H21N3O4 — CID 3812541

IUPAC2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2coc(-c3ccc(N)cc3)n2)c1
InChIInChI=1S/C20H21N3O4/c1-25-16-7-8-18(26-2)14(11-16)9-10-22-19(24)17-12-27-20(23-17)13-3-5-15(21)6-4-13/h3-8,11-12H,9-10,21H2,1-2H3,(H,22,24)
InChIKeyLROAVBZPTYUDBT-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.91
Rot. Bonds7

About 2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide

2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 3812541) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID3812541
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2coc(-c3ccc(N)cc3)n2)c1
InChIInChI=1S/C20H21N3O4/c1-25-16-7-8-18(26-2)14(11-16)9-10-22-19(24)17-12-27-20(23-17)13-3-5-15(21)6-4-13/h3-8,11-12H,9-10,21H2,1-2H3,(H,22,24)
InChIKeyLROAVBZPTYUDBT-UHFFFAOYSA-N
XLogP2.91
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685272
2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3847962
2-(4-aminophenyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3864472
N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide
CID 110705099
3-(2,5-dimethoxyphenyl)-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]propanamide
CID 10238837
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122176631
2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56659063
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide
CID 110692153
[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 67120371
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 3244986

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 3812541) is 2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide is COc1ccc(OC)c(CCNC(=O)c2coc(-c3ccc(N)cc3)n2)c1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is LROAVBZPTYUDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-16-7-8-18(26-2)14(11-16)9-10-22-19(24)17-12-27-20(23-17)13-3-5-15(21)6-4-13/h3-8,11-12H,9-10,21H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3812541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).