1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea

C17H23N3O5 — CID 108869783

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)Nc2cc(C)on2)cc(OCC)c1OCC
InChIInChI=1S/C17H23N3O5/c1-5-22-13-9-12(10-14(23-6-2)16(13)24-7-3)18-17(21)19-15-8-11(4)25-20-15/h8-10H,5-7H2,1-4H3,(H2,18,19,20,21)
InChIKeyPLFGMEZRZLPHAO-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.82
Rot. Bonds8

About 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea

1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea (PubChem CID 108869783) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea
PubChem CID108869783
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea
SMILESCCOc1cc(NC(=O)Nc2cc(C)on2)cc(OCC)c1OCC
InChIInChI=1S/C17H23N3O5/c1-5-22-13-9-12(10-14(23-6-2)16(13)24-7-3)18-17(21)19-15-8-11(4)25-20-15/h8-10H,5-7H2,1-4H3,(H2,18,19,20,21)
InChIKeyPLFGMEZRZLPHAO-UHFFFAOYSA-N
XLogP3.82
TPSA94.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea 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

1-(3,5-dimethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869864
1-(4-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869610
1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108895478
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048
1-(4-ethylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869770
ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate
CID 108812202
N-[3-[(3,4,5-triethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869808
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956802
1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869698
3-chloro-4-ethoxy-5-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 39963862
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
3,4,5-triethoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzamide
CID 110293888

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea (CID 108869783) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea is CCOc1cc(NC(=O)Nc2cc(C)on2)cc(OCC)c1OCC.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea?
The InChIKey is PLFGMEZRZLPHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-5-22-13-9-12(10-14(23-6-2)16(13)24-7-3)18-17(21)19-15-8-11(4)25-20-15/h8-10H,5-7H2,1-4H3,(H2,18,19,20,21).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea?
1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea has a molecular weight of 349.39 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-triethoxyphenyl)urea is sourced from PubChem (CID 108869783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).