(5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

C17H17NO2 — CID 26433642

IUPAC(5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1
InChIInChI=1S/C17H17NO2/c1-19-15-9-7-14(8-10-15)17-12-16(20-18-17)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3/t16-/m0/s1
InChIKeyFKBVNJUSEHGABZ-INIZCTEOSA-N
MW267.33 g/mol
LogP3.43
Rot. Bonds4

About (5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

(5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 26433642) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID26433642
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1
InChIInChI=1S/C17H17NO2/c1-19-15-9-7-14(8-10-15)17-12-16(20-18-17)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3/t16-/m0/s1
InChIKeyFKBVNJUSEHGABZ-INIZCTEOSA-N
XLogP3.43
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 26433642) is (5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is COc1ccc(C2=NO[C@@H](Cc3ccccc3)C2)cc1.
What is the InChIKey of (5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is FKBVNJUSEHGABZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17NO2/c1-19-15-9-7-14(8-10-15)17-12-16(20-18-17)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
(5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 267.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 26433642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).