5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole

C10H5Cl2N5O — CID 2744451

IUPAC5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole
SMILESClc1cc(Cl)cc(-n2nnnc2-c2ccno2)c1
InChIInChI=1S/C10H5Cl2N5O/c11-6-3-7(12)5-8(4-6)17-10(14-15-16-17)9-1-2-13-18-9/h1-5H
InChIKeyYGWDFJWWXHBKGM-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.62
Rot. Bonds2

About 5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole

5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole (PubChem CID 2744451) has the molecular formula C10H5Cl2N5O and a molecular weight of 282.09 g/mol. Its IUPAC name is 5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole
PubChem CID2744451
Molecular FormulaC10H5Cl2N5O
Molecular Weight282.09 g/mol
Exact Mass280.99
IUPAC Name5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole
SMILESClc1cc(Cl)cc(-n2nnnc2-c2ccno2)c1
InChIInChI=1S/C10H5Cl2N5O/c11-6-3-7(12)5-8(4-6)17-10(14-15-16-17)9-1-2-13-18-9/h1-5H
InChIKeyYGWDFJWWXHBKGM-UHFFFAOYSA-N
XLogP2.62
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole?
The IUPAC name of 5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole (CID 2744451) is 5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole?
The canonical SMILES for 5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole is Clc1cc(Cl)cc(-n2nnnc2-c2ccno2)c1.
What is the InChIKey of 5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole?
The InChIKey is YGWDFJWWXHBKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N5O/c11-6-3-7(12)5-8(4-6)17-10(14-15-16-17)9-1-2-13-18-9/h1-5H.
What are the key properties of 5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole?
5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole has a molecular weight of 282.09 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dichlorophenyl)tetrazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 2744451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).