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

C15H17Cl2NO — CID 155401654

IUPAC5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1C(c2c(Cl)cccc2Cl)=NOC1C1CC1
InChIInChI=1S/C15H17Cl2NO/c1-2-4-10-14(18-19-15(10)9-7-8-9)13-11(16)5-3-6-12(13)17/h3,5-6,9-10,15H,2,4,7-8H2,1H3
InChIKeyNZMFDZFDQGJTJQ-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.92
Rot. Bonds4

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

5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole (PubChem CID 155401654) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole
PubChem CID155401654
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1C(c2c(Cl)cccc2Cl)=NOC1C1CC1
InChIInChI=1S/C15H17Cl2NO/c1-2-4-10-14(18-19-15(10)9-7-8-9)13-11(16)5-3-6-12(13)17/h3,5-6,9-10,15H,2,4,7-8H2,1H3
InChIKeyNZMFDZFDQGJTJQ-UHFFFAOYSA-N
XLogP4.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Benzyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544904
3-(2-Chlorophenyl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71449647
3-(4-Chlorophenyl)-5-cyclohexyl-4,5-dihydroisoxazole
CID 368750
5-Butyl-3-(4-chlorophenyl)-4,5-dihydroisoxazole
CID 368755
3-[2-Chloro-3-(trifluoromethyl)phenyl]-5-ethyl-4,5-dihydro-1,2-oxazole
CID 90089052
3-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-methyl-4,5-dihydro-1,2-oxazole
CID 134260977
3-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 138691988
3-[2-Chloro-3-(trifluoromethyl)phenyl]-5-ethyl-4,5-dihydro-1,2-oxazole;ethane
CID 144591565
3-(2-Chloro-6-fluorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole
CID 167186481
3-(4-Chlorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
CID 16220596
3-(4-Chlorophenyl)-5-hexyl-4,5-dihydro-1,2-oxazole
CID 102527174
(E)-1-(2,6-dichlorophenyl)propan-2-one O-ethyl oxime
CID 163358824

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole (CID 155401654) is 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole is CCCC1C(c2c(Cl)cccc2Cl)=NOC1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NZMFDZFDQGJTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-2-4-10-14(18-19-15(10)9-7-8-9)13-11(16)5-3-6-12(13)17/h3,5-6,9-10,15H,2,4,7-8H2,1H3.
What are the key properties of 5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole?
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-propyl-4,5-dihydro-1,2-oxazole has a molecular weight of 298.21 g/mol, XLogP of 4.92, 4 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-propyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 155401654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).