3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole

C17H16ClNO — CID 59544954

IUPAC3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2=NOC(CCc3ccccc3)C2)cc1
InChIInChI=1S/C17H16ClNO/c18-15-9-7-14(8-10-15)17-12-16(20-19-17)11-6-13-4-2-1-3-5-13/h1-5,7-10,16H,6,11-12H2
InChIKeyAQQRVFBEZJLZEI-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.47
Rot. Bonds4

About 3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole

3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 59544954) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
PubChem CID59544954
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2=NOC(CCc3ccccc3)C2)cc1
InChIInChI=1S/C17H16ClNO/c18-15-9-7-14(8-10-15)17-12-16(20-19-17)11-6-13-4-2-1-3-5-13/h1-5,7-10,16H,6,11-12H2
InChIKeyAQQRVFBEZJLZEI-UHFFFAOYSA-N
XLogP4.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole (CID 59544954) is 3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is Clc1ccc(C2=NOC(CCc3ccccc3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is AQQRVFBEZJLZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-15-9-7-14(8-10-15)17-12-16(20-19-17)11-6-13-4-2-1-3-5-13/h1-5,7-10,16H,6,11-12H2.
What are the key properties of 3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole?
3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 285.77 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59544954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).