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

C18H17N5OS — CID 8643011

IUPAC3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
SMILESCC(C)c1ccc(-c2nnn(Cc3cc(-c4cccs4)on3)n2)cc1
InChIInChI=1S/C18H17N5OS/c1-12(2)13-5-7-14(8-6-13)18-19-22-23(20-18)11-15-10-16(24-21-15)17-4-3-9-25-17/h3-10,12H,11H2,1-2H3
InChIKeyRZDHNUWHWCGQNL-UHFFFAOYSA-N
MW351.44 g/mol
LogP4.23
Rot. Bonds5

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

3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole (PubChem CID 8643011) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
PubChem CID8643011
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
SMILESCC(C)c1ccc(-c2nnn(Cc3cc(-c4cccs4)on3)n2)cc1
InChIInChI=1S/C18H17N5OS/c1-12(2)13-5-7-14(8-6-13)18-19-22-23(20-18)11-15-10-16(24-21-15)17-4-3-9-25-17/h3-10,12H,11H2,1-2H3
InChIKeyRZDHNUWHWCGQNL-UHFFFAOYSA-N
XLogP4.23
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 8643026
3-[[5-(2-bromophenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8809937
5-propan-2-yl-3-[(5-thiophen-2-yltetrazol-2-yl)methyl]-1,2,4-oxadiazole
CID 97019005
5-[[5-(4-chlorophenyl)tetrazol-2-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 17467879
3-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-5-phenyl-1,2-oxazole
CID 8598063
2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-thiophen-2-ylethanone
CID 7490125
1-[1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114420028
2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 126550812
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 55494664
2-phenyl-5-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3,4-oxadiazole
CID 8642914
2-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,3-benzoxazole
CID 8642994
4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-1,2-oxazol-5-amine
CID 43336217

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The IUPAC name of 3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole (CID 8643011) is 3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The canonical SMILES for 3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole is CC(C)c1ccc(-c2nnn(Cc3cc(-c4cccs4)on3)n2)cc1.
What is the InChIKey of 3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
The InChIKey is RZDHNUWHWCGQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-12(2)13-5-7-14(8-6-13)18-19-22-23(20-18)11-15-10-16(24-21-15)17-4-3-9-25-17/h3-10,12H,11H2,1-2H3.
What are the key properties of 3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole?
3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole has a molecular weight of 351.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazole is sourced from PubChem (CID 8643011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).