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

C13H15Cl2NO — CID 25010982

IUPAC(4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)C[C@@H]1COC(c2cc(Cl)cc(Cl)c2)=N1
InChIInChI=1S/C13H15Cl2NO/c1-8(2)3-12-7-17-13(16-12)9-4-10(14)6-11(15)5-9/h4-6,8,12H,3,7H2,1-2H3/t12-/m1/s1
InChIKeyZREFPQXEGSJDIU-GFCCVEGCSA-N
MW272.18 g/mol
LogP4.18
Rot. Bonds3

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

(4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole (PubChem CID 25010982) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is (4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
PubChem CID25010982
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Name(4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)C[C@@H]1COC(c2cc(Cl)cc(Cl)c2)=N1
InChIInChI=1S/C13H15Cl2NO/c1-8(2)3-12-7-17-13(16-12)9-4-10(14)6-11(15)5-9/h4-6,8,12H,3,7H2,1-2H3/t12-/m1/s1
InChIKeyZREFPQXEGSJDIU-GFCCVEGCSA-N
XLogP4.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-Dichlorophenyl)-4,4-dimethyl-5-methylidene-4,5-dihydro-1,3-oxazole
CID 119031150
4-Benzyl-2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-oxazole
CID 9547868
Oxazole, 2-(4-chlorophenyl)-4,5-dihydro-
CID 244027
2-(4-Chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 639989
(4S)-4-benzyl-2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-oxazole
CID 17756825
(S)-2-(3,5-Dichlorophenyl)-4-isopropyl-4,5-dihydrooxazole
CID 17756876
2-(2,6-Dichlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414804
2-(3-Chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414833
methyl (4S)-2-(3-chlorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201177
Oxazole, 2-(3-chlorophenyl)-4,5-dihydro-4,4-dimethyl-
CID 10798476
2-(3-Chlorophenyl)-4,5-dihydro-1,3-oxazole
CID 12793307
(3aS,6S,6aR)-2-(3,5-dichlorophenyl)-6-(2-fluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole
CID 154714277

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole (CID 25010982) is (4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole is CC(C)C[C@@H]1COC(c2cc(Cl)cc(Cl)c2)=N1.
What is the InChIKey of (4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is ZREFPQXEGSJDIU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-8(2)3-12-7-17-13(16-12)9-4-10(14)6-11(15)5-9/h4-6,8,12H,3,7H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
(4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 272.18 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3,5-dichlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 25010982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).