2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole

C20H17FN4O3 — CID 56745955

IUPAC2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole
SMILESCOc1ccc(F)c(-c2nc(COc3ccc(-n4cnnc4)cc3)c(C)o2)c1
InChIInChI=1S/C20H17FN4O3/c1-13-19(24-20(28-13)17-9-16(26-2)7-8-18(17)21)10-27-15-5-3-14(4-6-15)25-11-22-23-12-25/h3-9,11-12H,10H2,1-2H3
InChIKeyJMVSBLKYGMDQSI-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.96
Rot. Bonds6

About 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole

2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole (PubChem CID 56745955) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole
PubChem CID56745955
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole
SMILESCOc1ccc(F)c(-c2nc(COc3ccc(-n4cnnc4)cc3)c(C)o2)c1
InChIInChI=1S/C20H17FN4O3/c1-13-19(24-20(28-13)17-9-16(26-2)7-8-18(17)21)10-27-15-5-3-14(4-6-15)25-11-22-23-12-25/h3-9,11-12H,10H2,1-2H3
InChIKeyJMVSBLKYGMDQSI-UHFFFAOYSA-N
XLogP3.96
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole (CID 56745955) is 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole is COc1ccc(F)c(-c2nc(COc3ccc(-n4cnnc4)cc3)c(C)o2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole?
The InChIKey is JMVSBLKYGMDQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-13-19(24-20(28-13)17-9-16(26-2)7-8-18(17)21)10-27-15-5-3-14(4-6-15)25-11-22-23-12-25/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole?
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole has a molecular weight of 380.38 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[[4-(1,2,4-triazol-4-yl)phenoxy]methyl]-1,3-oxazole is sourced from PubChem (CID 56745955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).