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

C19H17Cl2NO3 — CID 135007342

IUPACethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1C(c2c(Cl)cccc2Cl)=NO[C@H]1c1ccc(C)cc1
InChIInChI=1S/C19H17Cl2NO3/c1-3-24-19(23)16-17(15-13(20)5-4-6-14(15)21)22-25-18(16)12-9-7-11(2)8-10-12/h4-10,16,18H,3H2,1-2H3/t16-,18+/m1/s1
InChIKeyJXRMMUQXTSIGSS-AEFFLSMTSA-N
MW378.26 g/mol
LogP4.96
Rot. Bonds4

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

ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate (PubChem CID 135007342) has the molecular formula C19H17Cl2NO3 and a molecular weight of 378.26 g/mol. Its IUPAC name is ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
PubChem CID135007342
Molecular FormulaC19H17Cl2NO3
Molecular Weight378.26 g/mol
Exact Mass377.06
IUPAC Nameethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1C(c2c(Cl)cccc2Cl)=NO[C@H]1c1ccc(C)cc1
InChIInChI=1S/C19H17Cl2NO3/c1-3-24-19(23)16-17(15-13(20)5-4-6-14(15)21)22-25-18(16)12-9-7-11(2)8-10-12/h4-10,16,18H,3H2,1-2H3/t16-,18+/m1/s1
InChIKeyJXRMMUQXTSIGSS-AEFFLSMTSA-N
XLogP4.96
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate with MolForge

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Related Compounds

ethyl (4R,5R)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 135006429
Methyl 2-[(4-chlorophenyl)(1-phenylethylidene-aminooxy)methyl]acrylate
CID 129823131
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)-5-(4-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 135006500
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)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 135006890
Uchvmebzyvylks-wbvhzdcisa-
CID 12255522
Uchvmebzyvylks-nvxwuhklsa-
CID 23270958
methyl 3-(2-chlorophenyl)-5-[(2-chlorophenyl)-hydroxymethyl]-4H-1,2-oxazole-5-carboxylate
CID 101349139
Ethyl 5-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 22184756

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate (CID 135007342) is ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate is CCOC(=O)[C@@H]1C(c2c(Cl)cccc2Cl)=NO[C@H]1c1ccc(C)cc1.
What is the InChIKey of ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate?
The InChIKey is JXRMMUQXTSIGSS-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H17Cl2NO3/c1-3-24-19(23)16-17(15-13(20)5-4-6-14(15)21)22-25-18(16)12-9-7-11(2)8-10-12/h4-10,16,18H,3H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate?
ethyl (4R,5R)-3-(2,6-dichlorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate has a molecular weight of 378.26 g/mol, XLogP of 4.96, 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)-5-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 135007342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).