(5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

C17H16FNO2 — CID 71562095

IUPAC(5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NO[C@@H](Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C17H16FNO2/c1-20-15-8-4-13(5-9-15)17-11-16(21-19-17)10-12-2-6-14(18)7-3-12/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyLOVBMYYUFCPNPO-INIZCTEOSA-N
MW285.32 g/mol
LogP3.57
Rot. Bonds4

About (5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole

(5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 71562095) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID71562095
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2=NO[C@@H](Cc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C17H16FNO2/c1-20-15-8-4-13(5-9-15)17-11-16(21-19-17)10-12-2-6-14(18)7-3-12/h2-9,16H,10-11H2,1H3/t16-/m0/s1
InChIKeyLOVBMYYUFCPNPO-INIZCTEOSA-N
XLogP3.57
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 71562095) is (5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is COc1ccc(C2=NO[C@@H](Cc3ccc(F)cc3)C2)cc1.
What is the InChIKey of (5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is LOVBMYYUFCPNPO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-20-15-8-4-13(5-9-15)17-11-16(21-19-17)10-12-2-6-14(18)7-3-12/h2-9,16H,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
(5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 285.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71562095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).