4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole

C18H21N5O2 — CID 75434158

IUPAC4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3nnnc3C3CCCCC3)co2)cc1
InChIInChI=1S/C18H21N5O2/c1-24-16-9-7-14(8-10-16)18-19-15(12-25-18)11-23-17(20-21-22-23)13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3
InChIKeyCUFHHLLZOMQAJF-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.43
Rot. Bonds5

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

4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 75434158) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
PubChem CID75434158
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3nnnc3C3CCCCC3)co2)cc1
InChIInChI=1S/C18H21N5O2/c1-24-16-9-7-14(8-10-16)18-19-15(12-25-18)11-23-17(20-21-22-23)13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3
InChIKeyCUFHHLLZOMQAJF-UHFFFAOYSA-N
XLogP3.43
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one
CID 18288236
2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole
CID 69424980
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate
CID 55538994
2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol
CID 167909389
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388
4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 47281616
2-[cyclopentyl-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]amino]acetamide
CID 56813192
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate
CID 55538335
2-[[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 109398384
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 18273032
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one
CID 18290993
1-cyclopropyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 36992730

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole (CID 75434158) is 4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2nc(Cn3nnnc3C3CCCCC3)co2)cc1.
What is the InChIKey of 4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is CUFHHLLZOMQAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-24-16-9-7-14(8-10-16)18-19-15(12-25-18)11-23-17(20-21-22-23)13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3.
What are the key properties of 4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole?
4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 339.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclohexyltetrazol-1-yl)methyl]-2-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 75434158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).