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

C17H16FNO2 — CID 91026761

IUPAC5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole
SMILESCOc1cccc(C2=CC(Cc3ccc(F)cc3)ON2)c1
InChIInChI=1S/C17H16FNO2/c1-20-15-4-2-3-13(10-15)17-11-16(21-19-17)9-12-5-7-14(18)8-6-12/h2-8,10-11,16,19H,9H2,1H3
InChIKeySTCXNLOVBGSENM-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.32
Rot. Bonds4

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

5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91026761) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole
PubChem CID91026761
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole
SMILESCOc1cccc(C2=CC(Cc3ccc(F)cc3)ON2)c1
InChIInChI=1S/C17H16FNO2/c1-20-15-4-2-3-13(10-15)17-11-16(21-19-17)9-12-5-7-14(18)8-6-12/h2-8,10-11,16,19H,9H2,1H3
InChIKeySTCXNLOVBGSENM-UHFFFAOYSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523
2-ethoxy-6-[2-(2-fluorophenyl)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
CID 5073441
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867057
N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 15987740
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315
6-fluoro-3-(3-methoxyphenyl)-2,1-benzoxazole
CID 70133656
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole (CID 91026761) is 5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole is COc1cccc(C2=CC(Cc3ccc(F)cc3)ON2)c1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is STCXNLOVBGSENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-20-15-4-2-3-13(10-15)17-11-16(21-19-17)9-12-5-7-14(18)8-6-12/h2-8,10-11,16,19H,9H2,1H3.
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole?
5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 285.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91026761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).