2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole

C16H11Cl2NO — CID 21409118

IUPAC2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2coc(Cl)n2)cc1.Clc1cc2ccc1=2
InChIInChI=1S/C10H8ClNO.C6H3Cl/c1-7-2-4-8(5-3-7)9-6-13-10(11)12-9;7-6-3-4-1-2-5(4)6/h2-6H,1H3;1-3H
InChIKeyRKNGLORETQCMLY-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.24
Rot. Bonds1

About 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole

2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole (PubChem CID 21409118) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole
PubChem CID21409118
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2coc(Cl)n2)cc1.Clc1cc2ccc1=2
InChIInChI=1S/C10H8ClNO.C6H3Cl/c1-7-2-4-8(5-3-7)9-6-13-10(11)12-9;7-6-3-4-1-2-5(4)6/h2-6H,1H3;1-3H
InChIKeyRKNGLORETQCMLY-UHFFFAOYSA-N
XLogP5.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(4-methylphenyl)-1,3-oxazole
CID 21408388
4-(2-chloro-1,3-oxazol-4-yl)phenol
CID 105449569
2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;4-(4-methylphenyl)-1,3-oxazole;2-sulfanylpropanoic acid
CID 21409014
2-chloro-4-phenyl-1,3-oxazole;fluorobenzene
CID 21408523
1-[4-(4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 115022579
2-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxazole
CID 102468704
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057
2,4-dichloro-6-(4-methylphenyl)pyridine
CID 90948532
3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline
CID 20971452
2-[4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-sulfanylacetic acid
CID 21408287
2-chloro-4-iodo-1,3-oxazole
CID 144649329
2-chloro-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 167434977

Frequently Asked Questions

What is the IUPAC name of 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole (CID 21409118) is 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2coc(Cl)n2)cc1.Clc1cc2ccc1=2.
What is the InChIKey of 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole?
The InChIKey is RKNGLORETQCMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO.C6H3Cl/c1-7-2-4-8(5-3-7)9-6-13-10(11)12-9;7-6-3-4-1-2-5(4)6/h2-6H,1H3;1-3H.
What are the key properties of 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole?
2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole has a molecular weight of 304.18 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobicyclo[2.2.0]hexa-1(4),2,5-triene;2-chloro-4-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 21409118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).