3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole

C16H13N5O2S — CID 36651321

IUPAC3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole
SMILESCOc1ccccc1-c1cc(Cn2nnc(-c3cccs3)n2)on1
InChIInChI=1S/C16H13N5O2S/c1-22-14-6-3-2-5-12(14)13-9-11(23-19-13)10-21-18-16(17-20-21)15-7-4-8-24-15/h2-9H,10H2,1H3
InChIKeyOABFNTDKGCHXQX-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.11
Rot. Bonds5

About 3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole

3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole (PubChem CID 36651321) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole
PubChem CID36651321
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole
SMILESCOc1ccccc1-c1cc(Cn2nnc(-c3cccs3)n2)on1
InChIInChI=1S/C16H13N5O2S/c1-22-14-6-3-2-5-12(14)13-9-11(23-19-13)10-21-18-16(17-20-21)15-7-4-8-24-15/h2-9H,10H2,1H3
InChIKeyOABFNTDKGCHXQX-UHFFFAOYSA-N
XLogP3.11
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)methyl]-5-thiophen-2-yltetrazole
CID 9355630
3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8809937
5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
CID 97019005
5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585122
3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 24584990
3-(2-methoxyphenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 86926216
3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8643011
7-(2-methoxyphenyl)-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 10860242
2-(3,4-dimethoxyphenyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 9452291
4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 66200367
4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 8685179
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(5-thiophen-2-yltetrazol-2-yl)propanoate
CID 653826

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole (CID 36651321) is 3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole is COc1ccccc1-c1cc(Cn2nnc(-c3cccs3)n2)on1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole?
The InChIKey is OABFNTDKGCHXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-22-14-6-3-2-5-12(14)13-9-11(23-19-13)10-21-18-16(17-20-21)15-7-4-8-24-15/h2-9H,10H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole?
3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole has a molecular weight of 339.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 36651321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).