4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole

C17H12FNO4 — CID 34060939

IUPAC4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole
SMILESFc1cccc(-c2nc(COc3ccc4c(c3)OCO4)co2)c1
InChIInChI=1S/C17H12FNO4/c18-12-3-1-2-11(6-12)17-19-13(9-21-17)8-20-14-4-5-15-16(7-14)23-10-22-15/h1-7,9H,8,10H2
InChIKeyHAMHKYSHYHWZLH-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.79
Rot. Bonds4

About 4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole

4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole (PubChem CID 34060939) has the molecular formula C17H12FNO4 and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole
PubChem CID34060939
Molecular FormulaC17H12FNO4
Molecular Weight313.28 g/mol
Exact Mass313.08
IUPAC Name4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole
SMILESFc1cccc(-c2nc(COc3ccc4c(c3)OCO4)co2)c1
InChIInChI=1S/C17H12FNO4/c18-12-3-1-2-11(6-12)17-19-13(9-21-17)8-20-14-4-5-15-16(7-14)23-10-22-15/h1-7,9H,8,10H2
InChIKeyHAMHKYSHYHWZLH-UHFFFAOYSA-N
XLogP3.79
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-yloxymethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 31673534
2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030068
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
2-(1,3-benzodioxol-5-yl)-4-(pyridin-2-ylmethoxymethyl)-1,3-oxazole
CID 118342199
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084370
4-(1,3-benzodioxol-5-yloxymethyl)-2H-triazole
CID 175991136
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
N'-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methoxy]-2-phenoxyethanimidamide
CID 60523533
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 10637727
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
CID 106485084

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole (CID 34060939) is 4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole is Fc1cccc(-c2nc(COc3ccc4c(c3)OCO4)co2)c1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole?
The InChIKey is HAMHKYSHYHWZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO4/c18-12-3-1-2-11(6-12)17-19-13(9-21-17)8-20-14-4-5-15-16(7-14)23-10-22-15/h1-7,9H,8,10H2.
What are the key properties of 4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole?
4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole has a molecular weight of 313.28 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yloxymethyl)-2-(3-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 34060939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).