5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole

C12H10ClN5O3S — CID 167851791

IUPAC5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole
SMILESCn1nnc(S(=O)(=O)Cc2cc(-c3cccc(Cl)c3)on2)n1
InChIInChI=1S/C12H10ClN5O3S/c1-18-15-12(14-17-18)22(19,20)7-10-6-11(21-16-10)8-3-2-4-9(13)5-8/h2-6H,7H2,1H3
InChIKeyDSXSKEYVLKRBIW-UHFFFAOYSA-N
MW339.76 g/mol
LogP1.49
Rot. Bonds4

About 5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole

5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole (PubChem CID 167851791) has the molecular formula C12H10ClN5O3S and a molecular weight of 339.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole
PubChem CID167851791
Molecular FormulaC12H10ClN5O3S
Molecular Weight339.76 g/mol
Exact Mass339.02
IUPAC Name5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole
SMILESCn1nnc(S(=O)(=O)Cc2cc(-c3cccc(Cl)c3)on2)n1
InChIInChI=1S/C12H10ClN5O3S/c1-18-15-12(14-17-18)22(19,20)7-10-6-11(21-16-10)8-3-2-4-9(13)5-8/h2-6H,7H2,1H3
InChIKeyDSXSKEYVLKRBIW-UHFFFAOYSA-N
XLogP1.49
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole (CID 167851791) is 5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole is Cn1nnc(S(=O)(=O)Cc2cc(-c3cccc(Cl)c3)on2)n1.
What is the InChIKey of 5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole?
The InChIKey is DSXSKEYVLKRBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O3S/c1-18-15-12(14-17-18)22(19,20)7-10-6-11(21-16-10)8-3-2-4-9(13)5-8/h2-6H,7H2,1H3.
What are the key properties of 5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole?
5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole has a molecular weight of 339.76 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-[(2-methyltetrazol-5-yl)sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 167851791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).