4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole

C16H21NO3S — CID 78812277

IUPAC4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(OCCCSCc2c(C)noc2C)cc1
InChIInChI=1S/C16H21NO3S/c1-12-16(13(2)20-17-12)11-21-10-4-9-19-15-7-5-14(18-3)6-8-15/h5-8H,4,9-11H2,1-3H3
InChIKeyUVIRSETZOGZZPF-UHFFFAOYSA-N
MW307.42 g/mol
LogP4.00
Rot. Bonds8

About 4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole

4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 78812277) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole
PubChem CID78812277
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC Name4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(OCCCSCc2c(C)noc2C)cc1
InChIInChI=1S/C16H21NO3S/c1-12-16(13(2)20-17-12)11-21-10-4-9-19-15-7-5-14(18-3)6-8-15/h5-8H,4,9-11H2,1-3H3
InChIKeyUVIRSETZOGZZPF-UHFFFAOYSA-N
XLogP4.00
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-chlorophenoxy)ethylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 84603511
3,5-dimethyl-4-[2-(4-nitrophenoxy)ethylsulfanylmethyl]-1,2-oxazole
CID 47084862
2-(4-methoxyphenoxy)ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate
CID 7186464
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(4-methoxyphenoxy)butanoate
CID 55306569
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 86907274
4-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 30103459
2-(4-bromophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 78943613
N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 7959804
(Z)-N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-methoxyphenyl)methanimine
CID 7573673
2-(4-methoxyphenoxy)ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 5244662
4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 21060320
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888549

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole (CID 78812277) is 4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole is COc1ccc(OCCCSCc2c(C)noc2C)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is UVIRSETZOGZZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-12-16(13(2)20-17-12)11-21-10-4-9-19-15-7-5-14(18-3)6-8-15/h5-8H,4,9-11H2,1-3H3.
What are the key properties of 4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole?
4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 307.42 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 78812277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).