2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole

C16H10Cl2N4O2 — CID 9354749

IUPAC2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2cnc(COn3nnc4ccc(Cl)cc43)o2)cc1
InChIInChI=1S/C16H10Cl2N4O2/c17-11-3-1-10(2-4-11)15-8-19-16(24-15)9-23-22-14-7-12(18)5-6-13(14)20-21-22/h1-8H,9H2
InChIKeyAEUFSHFWCRDUCI-UHFFFAOYSA-N
MW361.19 g/mol
LogP4.02
Rot. Bonds4

About 2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole

2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole (PubChem CID 9354749) has the molecular formula C16H10Cl2N4O2 and a molecular weight of 361.19 g/mol. Its IUPAC name is 2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole
PubChem CID9354749
Molecular FormulaC16H10Cl2N4O2
Molecular Weight361.19 g/mol
Exact Mass360.02
IUPAC Name2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole
SMILESClc1ccc(-c2cnc(COn3nnc4ccc(Cl)cc43)o2)cc1
InChIInChI=1S/C16H10Cl2N4O2/c17-11-3-1-10(2-4-11)15-8-19-16(24-15)9-23-22-14-7-12(18)5-6-13(14)20-21-22/h1-8H,9H2
InChIKeyAEUFSHFWCRDUCI-UHFFFAOYSA-N
XLogP4.02
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole?
The IUPAC name of 2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole (CID 9354749) is 2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole.
What is the SMILES notation for 2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole?
The canonical SMILES for 2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole is Clc1ccc(-c2cnc(COn3nnc4ccc(Cl)cc43)o2)cc1.
What is the InChIKey of 2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole?
The InChIKey is AEUFSHFWCRDUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O2/c17-11-3-1-10(2-4-11)15-8-19-16(24-15)9-23-22-14-7-12(18)5-6-13(14)20-21-22/h1-8H,9H2.
What are the key properties of 2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole?
2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole has a molecular weight of 361.19 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chlorobenzotriazol-1-yl)oxymethyl]-5-(4-chlorophenyl)-1,3-oxazole is sourced from PubChem (CID 9354749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).