2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole

C15H11Cl2NO — CID 95911056

IUPAC2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole
SMILESCc1cc2nc(-c3cc(Cl)ccc3Cl)oc2cc1C
InChIInChI=1S/C15H11Cl2NO/c1-8-5-13-14(6-9(8)2)19-15(18-13)11-7-10(16)3-4-12(11)17/h3-7H,1-2H3
InChIKeySGPQVMIFZKDJBR-UHFFFAOYSA-N
MW292.17 g/mol
LogP5.42
Rot. Bonds1

About 2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole

2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole (PubChem CID 95911056) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole
PubChem CID95911056
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole
SMILESCc1cc2nc(-c3cc(Cl)ccc3Cl)oc2cc1C
InChIInChI=1S/C15H11Cl2NO/c1-8-5-13-14(6-9(8)2)19-15(18-13)11-7-10(16)3-4-12(11)17/h3-7H,1-2H3
InChIKeySGPQVMIFZKDJBR-UHFFFAOYSA-N
XLogP5.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.17
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 3118999
2-(2,5-dichlorophenyl)-[1,3]oxazolo[4,5-c]pyridine
CID 91677485
2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 95911059
2-(2,5-dichlorophenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 95910864
2,5-dichloro-N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]benzamide
CID 17163454
N-[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 2276581
N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 1349188
2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
CID 17307933
2-(6-chloro-1,3-benzoxazol-2-yl)-6-methylaniline
CID 81433043
5-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1367150
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
CID 169336838

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole?
The IUPAC name of 2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole (CID 95911056) is 2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole?
The canonical SMILES for 2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole is Cc1cc2nc(-c3cc(Cl)ccc3Cl)oc2cc1C.
What is the InChIKey of 2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole?
The InChIKey is SGPQVMIFZKDJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c1-8-5-13-14(6-9(8)2)19-15(18-13)11-7-10(16)3-4-12(11)17/h3-7H,1-2H3.
What are the key properties of 2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole?
2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole has a molecular weight of 292.17 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-5,6-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 95911056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).