5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole

C19H20Cl2N2O2 — CID 134284971

IUPAC5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole
SMILESCON1CC2CCC1(c1c(-c3c(Cl)cccc3Cl)noc1C1CC1)C2
InChIInChI=1S/C19H20Cl2N2O2/c1-24-23-10-11-7-8-19(23,9-11)16-17(22-25-18(16)12-5-6-12)15-13(20)3-2-4-14(15)21/h2-4,11-12H,5-10H2,1H3
InChIKeyLJSLNPBJPKVSSA-UHFFFAOYSA-N
MW379.29 g/mol
LogP5.40
Rot. Bonds4

About 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole

5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole (PubChem CID 134284971) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole
PubChem CID134284971
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole
SMILESCON1CC2CCC1(c1c(-c3c(Cl)cccc3Cl)noc1C1CC1)C2
InChIInChI=1S/C19H20Cl2N2O2/c1-24-23-10-11-7-8-19(23,9-11)16-17(22-25-18(16)12-5-6-12)15-13(20)3-2-4-14(15)21/h2-4,11-12H,5-10H2,1H3
InChIKeyLJSLNPBJPKVSSA-UHFFFAOYSA-N
XLogP5.40
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.29
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole
CID 138592228
2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-8,11-dioxadispiro[3.2.47.24]tridecan-2-ol
CID 138601165
1-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]propan-2-ol
CID 155401373
3-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-8-methylbicyclo[3.2.1]octan-8-ol
CID 155297996
tert-butyl 5-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate
CID 169226253
1-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]ethanol
CID 175987541
3-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]spiro[3.5]non-2-en-7-one
CID 175951151
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(7-pyrimidin-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-1,2-oxazole
CID 175830182
2-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octane-6-carbaldehyde
CID 130225863
4-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-2-hydroxyspiro[3.5]nonan-7-yl]oxybenzoic acid
CID 138592004
3-[2-chloro-6-(difluoromethoxy)phenyl]-5-cyclopropyl-1,2-oxazole-4-carbonyl chloride
CID 134284467
1-azabicyclo[3.2.1]octan-3-yl 2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]acetate
CID 142294903

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole (CID 134284971) is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole is CON1CC2CCC1(c1c(-c3c(Cl)cccc3Cl)noc1C1CC1)C2.
What is the InChIKey of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole?
The InChIKey is LJSLNPBJPKVSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-24-23-10-11-7-8-19(23,9-11)16-17(22-25-18(16)12-5-6-12)15-13(20)3-2-4-14(15)21/h2-4,11-12H,5-10H2,1H3.
What are the key properties of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole?
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole has a molecular weight of 379.29 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-(2-methoxy-2-azabicyclo[2.2.1]heptan-1-yl)-1,2-oxazole is sourced from PubChem (CID 134284971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).