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

C12H11N5O3 — CID 68558066

IUPAC3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole
SMILESCOc1ccc(COc2cc(-c3nn[nH]n3)on2)cc1
InChIInChI=1S/C12H11N5O3/c1-18-9-4-2-8(3-5-9)7-19-11-6-10(20-15-11)12-13-16-17-14-12/h2-6H,7H2,1H3,(H,13,14,16,17)
InChIKeyQDXGPUBDAHVZAJ-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.44
Rot. Bonds5

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

3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole (PubChem CID 68558066) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole
PubChem CID68558066
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole
SMILESCOc1ccc(COc2cc(-c3nn[nH]n3)on2)cc1
InChIInChI=1S/C12H11N5O3/c1-18-9-4-2-8(3-5-9)7-19-11-6-10(20-15-11)12-13-16-17-14-12/h2-6H,7H2,1H3,(H,13,14,16,17)
InChIKeyQDXGPUBDAHVZAJ-UHFFFAOYSA-N
XLogP1.44
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-methoxyphenyl)methoxy]-1,2-oxazole-5-carboxamide
CID 68516644
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250
N-[(4-methoxyphenyl)methyl]-6-phenyl-4-(2H-tetrazol-5-yl)pyridin-2-amine
CID 166085594
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
2-ethyl-6-methoxy-4-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methoxy]quinoline
CID 57314307
2-ethyl-7-methoxy-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
CID 10435012
3-[(4-methoxyphenyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-1,2-oxazole-5-carbothioamide
CID 178143927
4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 162347071
2-methoxy-4-[(4-methoxyphenyl)methoxy]pyridine
CID 70697685
5-[(4-methoxyphenyl)methoxy]-1-methylpyrazole
CID 141381468
[6-[(4-methoxyphenyl)methoxy]pyridazin-3-yl]methanol
CID 61257374
4-[[(1E,3Z)-5-[2,5-difluoro-4-[[3-[3-[(4-methoxyphenyl)methoxy]-1,2-oxazol-5-yl]-1H-1,2,4-triazol-5-yl]methyl]phenyl]-1-(methylideneamino)penta-1,3-dienoxy]methyl]-3-fluorobenzonitrile
CID 178144023

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole (CID 68558066) is 3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole is COc1ccc(COc2cc(-c3nn[nH]n3)on2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole?
The InChIKey is QDXGPUBDAHVZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-18-9-4-2-8(3-5-9)7-19-11-6-10(20-15-11)12-13-16-17-14-12/h2-6H,7H2,1H3,(H,13,14,16,17).
What are the key properties of 3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole?
3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole has a molecular weight of 273.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]-5-(2H-tetrazol-5-yl)-1,2-oxazole is sourced from PubChem (CID 68558066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).