2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole

C24H20FNO3 — CID 141030068

IUPAC2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
SMILESCc1cccc(COc2cccc(OCc3coc(-c4cccc(F)c4)n3)c2)c1
InChIInChI=1S/C24H20FNO3/c1-17-5-2-6-18(11-17)14-27-22-9-4-10-23(13-22)28-15-21-16-29-24(26-21)19-7-3-8-20(25)12-19/h2-13,16H,14-15H2,1H3
InChIKeyZYMJHDNQSKHFCQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP5.95
Rot. Bonds7

About 2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole

2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole (PubChem CID 141030068) has the molecular formula C24H20FNO3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
PubChem CID141030068
Molecular FormulaC24H20FNO3
Molecular Weight389.43 g/mol
Exact Mass389.14
IUPAC Name2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
SMILESCc1cccc(COc2cccc(OCc3coc(-c4cccc(F)c4)n3)c2)c1
InChIInChI=1S/C24H20FNO3/c1-17-5-2-6-18(11-17)14-27-22-9-4-10-23(13-22)28-15-21-16-29-24(26-21)19-7-3-8-20(25)12-19/h2-13,16H,14-15H2,1H3
InChIKeyZYMJHDNQSKHFCQ-UHFFFAOYSA-N
XLogP5.95
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.43
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030076
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methylphenyl)methanamine
CID 56661858
methyl 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzoate
CID 34061652
methyl 2-[[3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241347
4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole
CID 34060939
[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
CID 106485084
4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
CID 22009622
2-[methoxycarbonyl-[[3-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl]amino]acetic acid
CID 46888968
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 10637727
N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide
CID 60523533
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084370

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole?
The IUPAC name of 2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole (CID 141030068) is 2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole is Cc1cccc(COc2cccc(OCc3coc(-c4cccc(F)c4)n3)c2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole?
The InChIKey is ZYMJHDNQSKHFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO3/c1-17-5-2-6-18(11-17)14-27-22-9-4-10-23(13-22)28-15-21-16-29-24(26-21)19-7-3-8-20(25)12-19/h2-13,16H,14-15H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole?
2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole has a molecular weight of 389.43 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole is sourced from PubChem (CID 141030068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).