(5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole

C16H13Cl2NO — CID 171349110

IUPAC(5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=NO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C16H13Cl2NO/c1-10-2-4-11(5-3-10)15-9-16(20-19-15)12-6-7-13(17)14(18)8-12/h2-8,16H,9H2,1H3/t16-/m0/s1
InChIKeyUHRRCXOGGDGASN-INIZCTEOSA-N
MW306.19 g/mol
LogP5.17
Rot. Bonds2

About (5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole

(5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 171349110) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is (5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID171349110
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name(5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2=NO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C16H13Cl2NO/c1-10-2-4-11(5-3-10)15-9-16(20-19-15)12-6-7-13(17)14(18)8-12/h2-8,16H,9H2,1H3/t16-/m0/s1
InChIKeyUHRRCXOGGDGASN-INIZCTEOSA-N
XLogP5.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.19
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole (CID 171349110) is (5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole is Cc1ccc(C2=NO[C@H](c3ccc(Cl)c(Cl)c3)C2)cc1.
What is the InChIKey of (5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is UHRRCXOGGDGASN-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-10-2-4-11(5-3-10)15-9-16(20-19-15)12-6-7-13(17)14(18)8-12/h2-8,16H,9H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole?
(5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 306.19 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-dichlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 171349110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).