5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole

C10H6ClN5O — CID 2744453

IUPAC5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole
SMILESClc1ccc(-n2nnnc2-c2ccno2)cc1
InChIInChI=1S/C10H6ClN5O/c11-7-1-3-8(4-2-7)16-10(13-14-15-16)9-5-6-12-17-9/h1-6H
InChIKeyLLTRBEDGTVKGDI-UHFFFAOYSA-N
MW247.65 g/mol
LogP1.97
Rot. Bonds2

About 5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole

5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole (PubChem CID 2744453) has the molecular formula C10H6ClN5O and a molecular weight of 247.65 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole
PubChem CID2744453
Molecular FormulaC10H6ClN5O
Molecular Weight247.65 g/mol
Exact Mass247.03
IUPAC Name5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole
SMILESClc1ccc(-n2nnnc2-c2ccno2)cc1
InChIInChI=1S/C10H6ClN5O/c11-7-1-3-8(4-2-7)16-10(13-14-15-16)9-5-6-12-17-9/h1-6H
InChIKeyLLTRBEDGTVKGDI-UHFFFAOYSA-N
XLogP1.97
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole?
The IUPAC name of 5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole (CID 2744453) is 5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole is Clc1ccc(-n2nnnc2-c2ccno2)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole?
The InChIKey is LLTRBEDGTVKGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5O/c11-7-1-3-8(4-2-7)16-10(13-14-15-16)9-5-6-12-17-9/h1-6H.
What are the key properties of 5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole?
5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole has a molecular weight of 247.65 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)tetrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 2744453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).