ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate

C18H15Cl2NO3 — CID 135006890

IUPACethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)[C@@H]1ON=C(c2c(Cl)cccc2Cl)[C@H]1c1ccccc1
InChIInChI=1S/C18H15Cl2NO3/c1-2-23-18(22)17-14(11-7-4-3-5-8-11)16(21-24-17)15-12(19)9-6-10-13(15)20/h3-10,14,17H,2H2,1H3/t14-,17-/m1/s1
InChIKeyRLLGIJNHYKODIS-RHSMWYFYSA-N
MW364.23 g/mol
LogP4.44
Rot. Bonds4

About ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate

ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 135006890) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID135006890
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC Nameethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)[C@@H]1ON=C(c2c(Cl)cccc2Cl)[C@H]1c1ccccc1
InChIInChI=1S/C18H15Cl2NO3/c1-2-23-18(22)17-14(11-7-4-3-5-8-11)16(21-24-17)15-12(19)9-6-10-13(15)20/h3-10,14,17H,2H2,1H3/t14-,17-/m1/s1
InChIKeyRLLGIJNHYKODIS-RHSMWYFYSA-N
XLogP4.44
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(4-chlorophenyl)-4,5-dihydroisoxazole-5-carboxylate
CID 368752
ethyl 3-[2-chloro-5-(2-chlorophenyl)-4-fluorophenyl]-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 163378664
5-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-4,5-dihydro-, ethyl ester
CID 11054181
ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 135005397
tert-butyl (4R,5R)-3-(2,6-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 135005635
tert-butyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 135005636
ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 135006889
ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 135007342
4-[(2-Chloro-phenyl)-hydroxyimino-methyl]-1,5-dimethyl-2-phenyl-pyrazolidin-3-one
CID 139065880
4-(2-chlorophenyl)-3-phenyl-4H-1,2-oxazol-5-one
CID 176438630
(2-Chloro-6-fluorophenyl)methyl 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 55644796
Nusuqoysbceobs-gdbmzvcrsa-
CID 12461650

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 135006890) is ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate is CCOC(=O)[C@@H]1ON=C(c2c(Cl)cccc2Cl)[C@H]1c1ccccc1.
What is the InChIKey of ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is RLLGIJNHYKODIS-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c1-2-23-18(22)17-14(11-7-4-3-5-8-11)16(21-24-17)15-12(19)9-6-10-13(15)20/h3-10,14,17H,2H2,1H3/t14-,17-/m1/s1.
What are the key properties of ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate?
ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 364.23 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R)-3-(2,6-dichlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 135006890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).