2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane

C18H19Cl2NO — CID 166119017

IUPAC2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane
SMILESCC.CC(C)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C16H13Cl2NO.C2H6/c1-9(2)10-3-4-14-15(7-10)20-16(19-14)11-5-12(17)8-13(18)6-11;1-2/h3-9H,1-2H3;1-2H3
InChIKeyOCMFWJXPTMYEFB-UHFFFAOYSA-N
MW336.26 g/mol
LogP6.95
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane

2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane (PubChem CID 166119017) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane
PubChem CID166119017
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane
SMILESCC.CC(C)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1
InChIInChI=1S/C16H13Cl2NO.C2H6/c1-9(2)10-3-4-14-15(7-10)20-16(19-14)11-5-12(17)8-13(18)6-11;1-2/h3-9H,1-2H3;1-2H3
InChIKeyOCMFWJXPTMYEFB-UHFFFAOYSA-N
XLogP6.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.26
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-butyl-2-(3,5-dichlorophenyl)-1,3-benzoxazole
CID 163207320
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 167448203
[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl] formate
CID 175400486
10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine
CID 177272837
5-(6-chloro-1,3-benzoxazol-2-yl)-2-propan-2-ylphenol
CID 171512130
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
[2-(3,5-dichlorophenyl)-1,3-benzoxazol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 167448268
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 24970412
4-(dimethylamino)butan-2-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate;hydrochloride
CID 166068295
2-(diethylamino)ethyl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
CID 156813790
1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl 2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylate
CID 171722808

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane?
The IUPAC name of 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane (CID 166119017) is 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane?
The canonical SMILES for 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane is CC.CC(C)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane?
The InChIKey is OCMFWJXPTMYEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO.C2H6/c1-9(2)10-3-4-14-15(7-10)20-16(19-14)11-5-12(17)8-13(18)6-11;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane?
2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane has a molecular weight of 336.26 g/mol, XLogP of 6.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-6-propan-2-yl-1,3-benzoxazole;ethane is sourced from PubChem (CID 166119017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).