2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole

C14H13FN4O2 — CID 56741138

IUPAC2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
SMILESCOc1ccc(F)c(-c2nc(Cn3cncn3)c(C)o2)c1
InChIInChI=1S/C14H13FN4O2/c1-9-13(6-19-8-16-7-17-19)18-14(21-9)11-5-10(20-2)3-4-12(11)15/h3-5,7-8H,6H2,1-2H3
InChIKeyCNFFNBLOARQTGE-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.44
Rot. Bonds4

About 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole

2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole (PubChem CID 56741138) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
PubChem CID56741138
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
SMILESCOc1ccc(F)c(-c2nc(Cn3cncn3)c(C)o2)c1
InChIInChI=1S/C14H13FN4O2/c1-9-13(6-19-8-16-7-17-19)18-14(21-9)11-5-10(20-2)3-4-12(11)15/h3-5,7-8H,6H2,1-2H3
InChIKeyCNFFNBLOARQTGE-UHFFFAOYSA-N
XLogP2.44
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,6R)-4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2,6-dimethylmorpholine
CID 29258727
2-(2-fluoro-5-methoxyphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 95551737
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42462882
(9aS)-2-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 95563604
5-methyl-2-(4-methylsulfanylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
CID 56748791
3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole
CID 25384324
(9aS)-2-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95468866
1-[4-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 42516733
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,3-oxazole
CID 45251385
5-methyl-4-(1,2,4-triazol-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56750372
N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
CID 56870547
2-(2,5-dimethoxyphenyl)-4-(imidazol-1-ylmethyl)-5-methyl-1,3-oxazole;hydrochloride
CID 154893005

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole (CID 56741138) is 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole is COc1ccc(F)c(-c2nc(Cn3cncn3)c(C)o2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole?
The InChIKey is CNFFNBLOARQTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-9-13(6-19-8-16-7-17-19)18-14(21-9)11-5-10(20-2)3-4-12(11)15/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole?
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole has a molecular weight of 288.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 56741138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).