(5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole

C20H16ClNO — CID 71562432

IUPAC(5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2=NO[C@@H](Cc3cccc4ccccc34)C2)cc1
InChIInChI=1S/C20H16ClNO/c21-17-10-8-15(9-11-17)20-13-18(23-22-20)12-16-6-3-5-14-4-1-2-7-19(14)16/h1-11,18H,12-13H2/t18-/m0/s1
InChIKeyNXAAHUOVYRPXQH-SFHVURJKSA-N
MW321.81 g/mol
LogP5.23
Rot. Bonds3

About (5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole

(5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 71562432) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole
PubChem CID71562432
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name(5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2=NO[C@@H](Cc3cccc4ccccc34)C2)cc1
InChIInChI=1S/C20H16ClNO/c21-17-10-8-15(9-11-17)20-13-18(23-22-20)12-16-6-3-5-14-4-1-2-7-19(14)16/h1-11,18H,12-13H2/t18-/m0/s1
InChIKeyNXAAHUOVYRPXQH-SFHVURJKSA-N
XLogP5.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole (CID 71562432) is (5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole is Clc1ccc(C2=NO[C@@H](Cc3cccc4ccccc34)C2)cc1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is NXAAHUOVYRPXQH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H16ClNO/c21-17-10-8-15(9-11-17)20-13-18(23-22-20)12-16-6-3-5-14-4-1-2-7-19(14)16/h1-11,18H,12-13H2/t18-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole?
(5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 321.81 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71562432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).