2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole

C19H18N6O — CID 8642914

IUPAC2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)c1ccc(-c2nnn(Cc3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C19H18N6O/c1-13(2)14-8-10-15(11-9-14)18-21-24-25(23-18)12-17-20-22-19(26-17)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyIGBWXSKXXWFSLK-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.56
Rot. Bonds5

About 2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole

2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole (PubChem CID 8642914) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole
PubChem CID8642914
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole
SMILESCC(C)c1ccc(-c2nnn(Cc3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C19H18N6O/c1-13(2)14-8-10-15(11-9-14)18-21-24-25(23-18)12-17-20-22-19(26-17)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyIGBWXSKXXWFSLK-UHFFFAOYSA-N
XLogP3.56
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(4-butoxyphenyl)tetrazol-2-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 3184427
2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole
CID 8642994
5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 8643026
2-(4-methoxyphenyl)-5-[[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]methyl]-1,3,4-oxadiazole
CID 27914512
2-[[5-(4-ethylphenyl)tetrazol-2-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 9381437
N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62138841
2-[2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]tetrazol-5-yl]ethyl]isoindole-1,3-dione
CID 8994465
3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8643011
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
2-phenyl-5-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 33331375
2-[(4-nitrophenyl)methyl]-5-(4-propan-2-ylphenyl)tetrazole
CID 8642868
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole (CID 8642914) is 2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole is CC(C)c1ccc(-c2nnn(Cc3nnc(-c4ccccc4)o3)n2)cc1.
What is the InChIKey of 2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is IGBWXSKXXWFSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13(2)14-8-10-15(11-9-14)18-21-24-25(23-18)12-17-20-22-19(26-17)16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole?
2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 346.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 8642914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).