3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol

C14H19NO4 — CID 90703459

IUPAC3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
SMILESCOc1ccc(C2=CC(CCCO)ON2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-13-6-5-10(8-14(13)18-2)12-9-11(19-15-12)4-3-7-16/h5-6,8-9,11,15-16H,3-4,7H2,1-2H3
InChIKeyDTJGETBLHHBKJW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.72
Rot. Bonds6

About 3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol

3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol (PubChem CID 90703459) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
PubChem CID90703459
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol
SMILESCOc1ccc(C2=CC(CCCO)ON2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-13-6-5-10(8-14(13)18-2)12-9-11(19-15-12)4-3-7-16/h5-6,8-9,11,15-16H,3-4,7H2,1-2H3
InChIKeyDTJGETBLHHBKJW-UHFFFAOYSA-N
XLogP1.72
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol 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

5-[4-(4-benzhydrylpiperazin-1-yl)butyl]-3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazole
CID 91178390
3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-2,5-dihydro-1,2-oxazole
CID 90947064
3-(3-cyclopentyloxy-4-methoxyphenyl)-2,5-dihydro-1,2-oxazole-5-carbaldehyde
CID 57160895
3-[(7S)-7-(2,4-dimethoxyphenyl)-5-(3,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propan-1-ol
CID 136899122
6-methoxy-2-[3-methoxy-4-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenoxy]ethoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 90965600
2-[2-methoxy-4-(4-methoxyphenyl)phenoxy]ethanol
CID 145389562
methyl 5-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 154373280
4-(3,4-dimethoxyphenyl)-4-[1-(3,4-dimethoxyphenyl)-4-hydroxybutyl]sulfanylbutan-1-ol
CID 70629383
[4-(3,4-dimethoxyphenyl)-1H-pyrrol-2-yl]methanamine
CID 117001454
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
CID 118497324
4-(3,4-dimethoxyphenyl)-N'-hydroxy-2,3-dihydro-1,3-thiazole-2-carboximidamide
CID 142831926

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol (CID 90703459) is 3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol is COc1ccc(C2=CC(CCCO)ON2)cc1OC.
What is the InChIKey of 3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
The InChIKey is DTJGETBLHHBKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-13-6-5-10(8-14(13)18-2)12-9-11(19-15-12)4-3-7-16/h5-6,8-9,11,15-16H,3-4,7H2,1-2H3.
What are the key properties of 3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol?
3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol has a molecular weight of 265.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dimethoxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 90703459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).