4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole

C20H21NO4S2 — CID 71766618

IUPAC4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ocnc2-c2cc(OC)c(SC)c(OC)c2)cc1SC
InChIInChI=1S/C20H21NO4S2/c1-22-14-7-6-12(10-17(14)26-4)19-18(21-11-25-19)13-8-15(23-2)20(27-5)16(9-13)24-3/h6-11H,1-5H3
InChIKeyKBADGGXJHDLRHF-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.48
Rot. Bonds7

About 4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole

4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole (PubChem CID 71766618) has the molecular formula C20H21NO4S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole
PubChem CID71766618
Molecular FormulaC20H21NO4S2
Molecular Weight403.53 g/mol
Exact Mass403.09
IUPAC Name4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2ocnc2-c2cc(OC)c(SC)c(OC)c2)cc1SC
InChIInChI=1S/C20H21NO4S2/c1-22-14-7-6-12(10-17(14)26-4)19-18(21-11-25-19)13-8-15(23-2)20(27-5)16(9-13)24-3/h6-11H,1-5H3
InChIKeyKBADGGXJHDLRHF-UHFFFAOYSA-N
XLogP5.48
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-bromo-5-methoxy-4-methylsulfanylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole
CID 71766036
4-[5-(3-amino-4-methoxyphenyl)-1,3-oxazol-4-yl]-2,6-dimethoxyaniline
CID 118373092
4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole
CID 21408543
5-(3,4-dimethoxyphenyl)-4-phenyl-1,3-oxazole;2-sulfanylpropanoic acid
CID 21409057
5-(4-bromo-3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazole
CID 141261437
5-(1-methylindol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 10937379
3-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]-2-fluoro-6-methoxyphenol
CID 90115164
4-(cyclopropylmethyl)-5-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 162638174
5-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-4-(3-fluoro-4-methoxyphenyl)-1,3-oxazole
CID 141261474
4-iodo-1-methoxy-2-methylsulfanylbenzene
CID 164895361
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
N-[4-[4-(3,5-dimethoxyphenyl)-1,3-oxazol-5-yl]phenyl]acetamide
CID 90115382

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole?
The IUPAC name of 4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole (CID 71766618) is 4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole is COc1ccc(-c2ocnc2-c2cc(OC)c(SC)c(OC)c2)cc1SC.
What is the InChIKey of 4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole?
The InChIKey is KBADGGXJHDLRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S2/c1-22-14-7-6-12(10-17(14)26-4)19-18(21-11-25-19)13-8-15(23-2)20(27-5)16(9-13)24-3/h6-11H,1-5H3.
What are the key properties of 4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole?
4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole has a molecular weight of 403.53 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxy-4-methylsulfanylphenyl)-5-(4-methoxy-3-methylsulfanylphenyl)-1,3-oxazole is sourced from PubChem (CID 71766618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).