3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole

C19H17N5O3S — CID 17418386

IUPAC3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
SMILESCOc1ccc(-c2cc(CSc3nnnn3-c3ccccc3OC)on2)cc1
InChIInChI=1S/C19H17N5O3S/c1-25-14-9-7-13(8-10-14)16-11-15(27-21-16)12-28-19-20-22-23-24(19)17-5-3-4-6-18(17)26-2/h3-11H,12H2,1-2H3
InChIKeyGKDSVLRUOZAZJA-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.63
Rot. Bonds7

About 3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole

3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole (PubChem CID 17418386) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
PubChem CID17418386
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
SMILESCOc1ccc(-c2cc(CSc3nnnn3-c3ccccc3OC)on2)cc1
InChIInChI=1S/C19H17N5O3S/c1-25-14-9-7-13(8-10-14)16-11-15(27-21-16)12-28-19-20-22-23-24(19)17-5-3-4-6-18(17)26-2/h3-11H,12H2,1-2H3
InChIKeyGKDSVLRUOZAZJA-UHFFFAOYSA-N
XLogP3.63
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 27159911
3-(4-methoxyphenyl)-5-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 16612185
4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 16554841
5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585122
5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
5-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-methoxyphenyl)-1,2-oxazole
CID 16580363
1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole
CID 56795434
3-(4-methoxyphenyl)-5-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
CID 24604672
5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585126
5-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-1-(2-methoxyphenyl)tetrazole
CID 41075430
1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
CID 26576878
5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole (CID 17418386) is 3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole is COc1ccc(-c2cc(CSc3nnnn3-c3ccccc3OC)on2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
The InChIKey is GKDSVLRUOZAZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-25-14-9-7-13(8-10-14)16-11-15(27-21-16)12-28-19-20-22-23-24(19)17-5-3-4-6-18(17)26-2/h3-11H,12H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole has a molecular weight of 395.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 17418386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).