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

C18H16FNO3 — CID 177357080

IUPAC3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(C)on2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C18H16FNO3/c1-12-9-16(20-23-12)14-5-8-17(21-2)18(10-14)22-11-13-3-6-15(19)7-4-13/h3-10H,11H2,1-2H3
InChIKeyAFWKEWPHLDLPRX-UHFFFAOYSA-N
MW313.33 g/mol
LogP4.38
Rot. Bonds5

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

3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole (PubChem CID 177357080) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole
PubChem CID177357080
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(C)on2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C18H16FNO3/c1-12-9-16(20-23-12)14-5-8-17(21-2)18(10-14)22-11-13-3-6-15(19)7-4-13/h3-10H,11H2,1-2H3
InChIKeyAFWKEWPHLDLPRX-UHFFFAOYSA-N
XLogP4.38
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 83287470
3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-(2-hydroxycyclopentyl)-1,2-oxazole-5-sulfonamide
CID 177357133
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate
CID 1154159
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(4-fluorophenyl)methoxy]benzoate
CID 29362114
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
3-(4-fluorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 33127580
ethane;4-[5-[(4-fluorophenyl)methoxy]-6-methoxy-3-pyridinyl]-3,5-dimethyl-1,2-oxazole;propane
CID 177246951
3-[4-[(3,4-dimethylphenyl)methoxy]-3-methoxyphenyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 83287388
5-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2H-tetrazole
CID 132591898
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole (CID 177357080) is 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole is COc1ccc(-c2cc(C)on2)cc1OCc1ccc(F)cc1.
What is the InChIKey of 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole?
The InChIKey is AFWKEWPHLDLPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c1-12-9-16(20-23-12)14-5-8-17(21-2)18(10-14)22-11-13-3-6-15(19)7-4-13/h3-10H,11H2,1-2H3.
What are the key properties of 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole?
3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole has a molecular weight of 313.33 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 177357080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).