4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole

C19H18FNO5 — CID 58177948

IUPAC4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2conc2-c2cc(OC)c(OC)c(OC)c2)cc1F
InChIInChI=1S/C19H18FNO5/c1-22-15-6-5-11(7-14(15)20)13-10-26-21-18(13)12-8-16(23-2)19(25-4)17(9-12)24-3/h5-10H,1-4H3
InChIKeySLZCMYDIQUQPTD-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.18
Rot. Bonds6

About 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole

4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 58177948) has the molecular formula C19H18FNO5 and a molecular weight of 359.35 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID58177948
Molecular FormulaC19H18FNO5
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2conc2-c2cc(OC)c(OC)c(OC)c2)cc1F
InChIInChI=1S/C19H18FNO5/c1-22-15-6-5-11(7-14(15)20)13-10-26-21-18(13)12-8-16(23-2)19(25-4)17(9-12)24-3/h5-10H,1-4H3
InChIKeySLZCMYDIQUQPTD-UHFFFAOYSA-N
XLogP4.18
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-triethylphenyl)-1,2-oxazole
CID 58178174
4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58712207
4-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 135391735
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate
CID 173032615
4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
CID 58178080
methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
CID 58178223
[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2,3-dimethoxyphenyl] dihydrogen phosphate
CID 58178345
[3-carboxy-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 58712217
2-amino-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-2-phenylacetamide
CID 58712186
6-amino-2-(chloroamino)-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]hexanamide
CID 149058195
1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-(2-methylbutyl)urea;hydrochloride
CID 173126193
4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 143281942

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 58177948) is 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole is COc1ccc(-c2conc2-c2cc(OC)c(OC)c(OC)c2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is SLZCMYDIQUQPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO5/c1-22-15-6-5-11(7-14(15)20)13-10-26-21-18(13)12-8-16(23-2)19(25-4)17(9-12)24-3/h5-10H,1-4H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 359.35 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 58177948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).