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

C18H17N5O — CID 8642994

IUPAC2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole
SMILESCC(C)c1ccc(-c2nnn(Cc3nc4ccccc4o3)n2)cc1
InChIInChI=1S/C18H17N5O/c1-12(2)13-7-9-14(10-8-13)18-20-22-23(21-18)11-17-19-15-5-3-4-6-16(15)24-17/h3-10,12H,11H2,1-2H3
InChIKeyXTFMUHIMRBAJSA-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.65
Rot. Bonds4

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

2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole (PubChem CID 8642994) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole
PubChem CID8642994
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole
SMILESCC(C)c1ccc(-c2nnn(Cc3nc4ccccc4o3)n2)cc1
InChIInChI=1S/C18H17N5O/c1-12(2)13-7-9-14(10-8-13)18-20-22-23(21-18)11-17-19-15-5-3-4-6-16(15)24-17/h3-10,12H,11H2,1-2H3
InChIKeyXTFMUHIMRBAJSA-UHFFFAOYSA-N
XLogP3.65
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole
CID 8642914
5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 8643026
5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 46528837
3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8643011
2-[(4-nitrophenyl)methyl]-5-(4-propan-2-ylphenyl)tetrazole
CID 8642868
2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
CID 126669266
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
2-[2-(4-methoxyphenoxy)ethyl]-5-(4-propan-2-ylphenyl)tetrazole
CID 18286516
2-ethyl-1,3-benzoxazole
CID 23239
2-(1,3-benzoxazol-2-ylmethyl)isoindole-1,3-dithione
CID 102524600
1-(1,3-benzoxazol-2-yl)-4-methylpentan-2-amine
CID 43118594

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole?
The IUPAC name of 2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole (CID 8642994) is 2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole is CC(C)c1ccc(-c2nnn(Cc3nc4ccccc4o3)n2)cc1.
What is the InChIKey of 2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole?
The InChIKey is XTFMUHIMRBAJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12(2)13-7-9-14(10-8-13)18-20-22-23(21-18)11-17-19-15-5-3-4-6-16(15)24-17/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole?
2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole has a molecular weight of 319.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole is sourced from PubChem (CID 8642994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).