3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole

C19H21NO2S — CID 10336575

IUPAC3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(-c3cccs3)cc2)on1
InChIInChI=1S/C19H21NO2S/c1-15-14-18(22-20-15)6-3-2-4-12-21-17-10-8-16(9-11-17)19-7-5-13-23-19/h5,7-11,13-14H,2-4,6,12H2,1H3
InChIKeyFWOQDIMAIOOCHD-UHFFFAOYSA-N
MW327.45 g/mol
LogP5.50
Rot. Bonds8

About 3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole

3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole (PubChem CID 10336575) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole
PubChem CID10336575
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(-c3cccs3)cc2)on1
InChIInChI=1S/C19H21NO2S/c1-15-14-18(22-20-15)6-3-2-4-12-21-17-10-8-16(9-11-17)19-7-5-13-23-19/h5,7-11,13-14H,2-4,6,12H2,1H3
InChIKeyFWOQDIMAIOOCHD-UHFFFAOYSA-N
XLogP5.50
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.45
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole 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

3-(4-Methoxyphenyl)-5-[(phenylsulfonyl)methyl]isoxazole
CID 4327850
3-(4-Methoxyphenyl)-4-(2-thienyl)isoxazole
CID 145916483
5-[5-[2,6-Dichloro-4-(3-thienyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515423
5-[5-[2,6-Dichloro-4-(5-methyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515424
5-[5-[2,6-Dichloro-4-(5-chloro-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515425
5-[5-[2,6-Dichloro-4-(2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 10000800
1-[4-[7-(3-Methylisoxazol-5-yl)heptoxy]phenyl]ethanone
CID 5271197
5-[7-(4-Propionylphenoxy)heptyl]-3-methylisoxazole
CID 5271198
5-[7-(4-Isopropylphenoxy)heptyl]-3-methyl-isoxazole
CID 5271201
5-[5-[2,6-Dichloro-4-(4,5-dimethyl-2-thienyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515422
3,5-Diethyl-4-[6-(4-methylsulfanylphenoxy)hexyl]isoxazole
CID 5271167
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate
CID 8649760

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole (CID 10336575) is 3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole is Cc1cc(CCCCCOc2ccc(-c3cccs3)cc2)on1.
What is the InChIKey of 3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole?
The InChIKey is FWOQDIMAIOOCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-15-14-18(22-20-15)6-3-2-4-12-21-17-10-8-16(9-11-17)19-7-5-13-23-19/h5,7-11,13-14H,2-4,6,12H2,1H3.
What are the key properties of 3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole?
3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole has a molecular weight of 327.45 g/mol, XLogP of 5.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-(4-thiophen-2-ylphenoxy)pentyl]-1,2-oxazole is sourced from PubChem (CID 10336575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).