3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole

C15H17FN6O — CID 146125914

IUPAC3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2nnn(Cc3nc(C(C)(C)C)no3)n2)ccc1F
InChIInChI=1S/C15H17FN6O/c1-9-7-10(5-6-11(9)16)13-18-21-22(19-13)8-12-17-14(20-23-12)15(2,3)4/h5-7H,8H2,1-4H3
InChIKeyRPHSIUNOTUZWRH-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.52
Rot. Bonds3

About 3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole

3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole (PubChem CID 146125914) has the molecular formula C15H17FN6O and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
PubChem CID146125914
Molecular FormulaC15H17FN6O
Molecular Weight316.34 g/mol
Exact Mass316.14
IUPAC Name3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2nnn(Cc3nc(C(C)(C)C)no3)n2)ccc1F
InChIInChI=1S/C15H17FN6O/c1-9-7-10(5-6-11(9)16)13-18-21-22(19-13)8-12-17-14(20-23-12)15(2,3)4/h5-7H,8H2,1-4H3
InChIKeyRPHSIUNOTUZWRH-UHFFFAOYSA-N
XLogP2.52
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17490289
3-(4-chlorophenyl)-5-[[5-(3-methoxyphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17497344
5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 46528837
3-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-N,N-dimethylbenzamide
CID 51096590
5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 18776288
1-cyclopropyl-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethanone
CID 166200587
[4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 55827505
5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole
CID 47026357
2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119948247
N-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60929102
3-(4-fluoro-3-methylphenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 136549348
5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 17467879

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole (CID 146125914) is 3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole is Cc1cc(-c2nnn(Cc3nc(C(C)(C)C)no3)n2)ccc1F.
What is the InChIKey of 3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is RPHSIUNOTUZWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O/c1-9-7-10(5-6-11(9)16)13-18-21-22(19-13)8-12-17-14(20-23-12)15(2,3)4/h5-7H,8H2,1-4H3.
What are the key properties of 3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 316.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146125914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).