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

C19H20N2O5 — CID 69034335

IUPAC[2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2COC(c3ccc(N)cc3)=N2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O5/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/h4-9,14H,10,20H2,1-3H3
InChIKeyIXLCKCITRLTKLS-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.32
Rot. Bonds6

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

[2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 69034335) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID69034335
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2COC(c3ccc(N)cc3)=N2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O5/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/h4-9,14H,10,20H2,1-3H3
InChIKeyIXLCKCITRLTKLS-UHFFFAOYSA-N
XLogP2.32
TPSA92.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 69034335) is [2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [2-(4-aminophenyl)-4,5-dihydro-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)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is IXLCKCITRLTKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/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/h4-9,14H,10,20H2,1-3H3.
What are the key properties of [2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 356.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminophenyl)-4,5-dihydro-1,3-oxazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 69034335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).