[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C19H18N2O5 — CID 67120371

IUPAC[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2coc(-c3ccc(N)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O5/c1-23-15-8-12(9-16(24-2)18(15)25-3)17(22)14-10-26-19(21-14)11-4-6-13(20)7-5-11/h4-10H,20H2,1-3H3
InChIKeyKDOTYSRBOKFVOU-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.18
Rot. Bonds6

About [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 67120371) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID67120371
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2coc(-c3ccc(N)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O5/c1-23-15-8-12(9-16(24-2)18(15)25-3)17(22)14-10-26-19(21-14)11-4-6-13(20)7-5-11/h4-10H,20H2,1-3H3
InChIKeyKDOTYSRBOKFVOU-UHFFFAOYSA-N
XLogP3.18
TPSA96.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-ethylphenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 67120443
(E)-[(2-phenyl-1,3-oxazol-4-yl)-(3,4,5-trimethoxyphenyl)methylidene]hydrazine
CID 87276449
(3,5-dimethoxyphenyl)-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 67120454
2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3812541
3,4,5-trimethoxy-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 46392754
[2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 69034335
(5-amino-1-benzothiophen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 72737432
2-(4-aminophenyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3871183
methyl 2-(3-aminophenyl)-1,3-oxazole-4-carboxylate
CID 16731543
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 4599542
(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 25064338

Frequently Asked Questions

What is the IUPAC name of [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 67120371) is [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2coc(-c3ccc(N)cc3)n2)cc(OC)c1OC.
What is the InChIKey of [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KDOTYSRBOKFVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-23-15-8-12(9-16(24-2)18(15)25-3)17(22)14-10-26-19(21-14)11-4-6-13(20)7-5-11/h4-10H,20H2,1-3H3.
What are the key properties of [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 354.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminophenyl)-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 67120371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).