4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole

C14H16FNOS — CID 78845847

IUPAC4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole
SMILESCCCCSCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FNOS/c1-2-3-8-18-10-13-9-17-14(16-13)11-4-6-12(15)7-5-11/h4-7,9H,2-3,8,10H2,1H3
InChIKeyNUCGNKHFXCMUOD-UHFFFAOYSA-N
MW265.35 g/mol
LogP4.51
Rot. Bonds6

About 4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole

4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole (PubChem CID 78845847) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole
PubChem CID78845847
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole
SMILESCCCCSCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FNOS/c1-2-3-8-18-10-13-9-17-14(16-13)11-4-6-12(15)7-5-11/h4-7,9H,2-3,8,10H2,1H3
InChIKeyNUCGNKHFXCMUOD-UHFFFAOYSA-N
XLogP4.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-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-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
CID 66114740
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
2-amino-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid
CID 43414263
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
CID 66115439
4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
CID 24668922
1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine
CID 43301701
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
CID 56682845
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
4-(azetidin-3-ylmethylsulfanylmethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 66290706
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66104930

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole (CID 78845847) is 4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole is CCCCSCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole?
The InChIKey is NUCGNKHFXCMUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-2-3-8-18-10-13-9-17-14(16-13)11-4-6-12(15)7-5-11/h4-7,9H,2-3,8,10H2,1H3.
What are the key properties of 4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole?
4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole has a molecular weight of 265.35 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 78845847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).