5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole

C14H11Cl2NO — CID 138592228

IUPAC5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole
SMILESC=Cc1c(-c2c(Cl)cccc2Cl)noc1C1CC1
InChIInChI=1S/C14H11Cl2NO/c1-2-9-13(17-18-14(9)8-6-7-8)12-10(15)4-3-5-11(12)16/h2-5,8H,1,6-7H2
InChIKeyMOBQAZDFHBZTTN-UHFFFAOYSA-N
MW280.15 g/mol
LogP5.17
Rot. Bonds3

About 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole

5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole (PubChem CID 138592228) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole
PubChem CID138592228
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole
SMILESC=Cc1c(-c2c(Cl)cccc2Cl)noc1C1CC1
InChIInChI=1S/C14H11Cl2NO/c1-2-9-13(17-18-14(9)8-6-7-8)12-10(15)4-3-5-11(12)16/h2-5,8H,1,6-7H2
InChIKeyMOBQAZDFHBZTTN-UHFFFAOYSA-N
XLogP5.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.15
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 164823176
1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-ol
CID 155401373
2-[4-[(E)-2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethenyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 142582176
2-[4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethenyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 155091002
4-[(E)-2-[4-(1,3-benzothiazol-2-yl)-1-bicyclo[2.2.2]octanyl]ethenyl]-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole
CID 175950498
tert-butyl 4-[1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]prop-1-en-2-yl]piperidine-1-carboxylate
CID 175049934
4-[[(E)-4-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]but-3-enoxy]methyl]benzoic acid
CID 138602243
4-(bromomethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole;2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetonitrile
CID 164985547
4-[6-[(E)-2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]ethenyl]-2-azaspiro[3.3]heptan-2-yl]benzoic acid
CID 152707546
3-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]spiro[3.5]non-2-en-7-one
CID 175951151
5-cyclopropyl-4-[(2,5-dichlorophenoxy)methyl]-3-(2,6-dichlorophenyl)-1,2-oxazole
CID 152548386
5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]cyclooctan-1-ol
CID 138508088

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole (CID 138592228) is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole is C=Cc1c(-c2c(Cl)cccc2Cl)noc1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole?
The InChIKey is MOBQAZDFHBZTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-2-9-13(17-18-14(9)8-6-7-8)12-10(15)4-3-5-11(12)16/h2-5,8H,1,6-7H2.
What are the key properties of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole?
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole has a molecular weight of 280.15 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole is sourced from PubChem (CID 138592228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).