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

C15H11Cl2NO — CID 146025885

IUPAC(4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESClc1ccc([C@@H]2COC(c3ccccc3)=N2)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO/c16-11-6-7-12(13(17)8-11)14-9-19-15(18-14)10-4-2-1-3-5-10/h1-8,14H,9H2/t14-/m0/s1
InChIKeyIXQKDNJFZQNQQS-AWEZNQCLSA-N
MW292.17 g/mol
LogP4.51
Rot. Bonds2

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

(4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 146025885) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is (4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID146025885
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name(4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESClc1ccc([C@@H]2COC(c3ccccc3)=N2)c(Cl)c1
InChIInChI=1S/C15H11Cl2NO/c16-11-6-7-12(13(17)8-11)14-9-19-15(18-14)10-4-2-1-3-5-10/h1-8,14H,9H2/t14-/m0/s1
InChIKeyIXQKDNJFZQNQQS-AWEZNQCLSA-N
XLogP4.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diphenyl-1,3-oxazoline
CID 10889524
4-Benzyl-2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-oxazole
CID 9547868
Oxazole, 2-(4-chlorophenyl)-4,5-dihydro-
CID 244027
4-(4-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853209
4-(2,4-Dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853265
4-(4-Chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853272
4-(4-Chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853293
4-(2-Chloro-4-octylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15008033
(S)-2-(3,5-Dichloro-benzyloxy)-1-phenyl-ethylamine
CID 44326328
4-(2-Chloro-4-ethylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76308799
4-[2-Chloro-4-(2-methylpropyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76316008
4-(2-Chloro-4-hexylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76316009

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 146025885) is (4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole is Clc1ccc([C@@H]2COC(c3ccccc3)=N2)c(Cl)c1.
What is the InChIKey of (4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is IXQKDNJFZQNQQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c16-11-6-7-12(13(17)8-11)14-9-19-15(18-14)10-4-2-1-3-5-10/h1-8,14H,9H2/t14-/m0/s1.
What are the key properties of (4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
(4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 292.17 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,4-dichlorophenyl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 146025885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).