4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole

C18H22N4O3S — CID 72845253

IUPAC4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole
SMILESCOCc1c(-c2nc(CCSC)nn2-c2ccc(OC)cc2)noc1C
InChIInChI=1S/C18H22N4O3S/c1-12-15(11-23-2)17(21-25-12)18-19-16(9-10-26-4)20-22(18)13-5-7-14(24-3)8-6-13/h5-8H,9-11H2,1-4H3
InChIKeyOVESVJOSQFMOFM-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.29
Rot. Bonds8

About 4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole

4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole (PubChem CID 72845253) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole
PubChem CID72845253
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole
SMILESCOCc1c(-c2nc(CCSC)nn2-c2ccc(OC)cc2)noc1C
InChIInChI=1S/C18H22N4O3S/c1-12-15(11-23-2)17(21-25-12)18-19-16(9-10-26-4)20-22(18)13-5-7-14(24-3)8-6-13/h5-8H,9-11H2,1-4H3
InChIKeyOVESVJOSQFMOFM-UHFFFAOYSA-N
XLogP3.29
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-N,N-dimethylcyclobutan-1-amine
CID 166354965
2-[5-[5-(methoxymethyl)thiophen-2-yl]-3-(2-methylsulfanylethyl)-1,2,4-triazol-1-yl]pyridine
CID 72939220
3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 142218254
4-(methoxymethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
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3-(4-methoxyphenyl)-5-methyl-4-methylsulfanyl-1,2-oxazole
CID 68883545
2-[5-bromo-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]ethanol
CID 116817986
1-ethyl-4-[[5-(methoxymethyl)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]piperazine
CID 131909014
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4,5-trione
CID 7888549
3-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79225724
4-[3-(4-methoxyphenoxy)propylsulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 78812277
3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine
CID 89432212
N,N-diethyl-6-(methoxymethyl)-1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole (CID 72845253) is 4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole is COCc1c(-c2nc(CCSC)nn2-c2ccc(OC)cc2)noc1C.
What is the InChIKey of 4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is OVESVJOSQFMOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12-15(11-23-2)17(21-25-12)18-19-16(9-10-26-4)20-22(18)13-5-7-14(24-3)8-6-13/h5-8H,9-11H2,1-4H3.
What are the key properties of 4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole?
4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 374.47 g/mol, XLogP of 3.29, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-3-[2-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 72845253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).