3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole

C19H22FN5O3 — CID 25384324

IUPAC3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole
SMILESCOc1ccc(F)c(-c2nc(CN3CCN(c4nonc4C)CC3)c(C)o2)c1
InChIInChI=1S/C19H22FN5O3/c1-12-18(23-28-22-12)25-8-6-24(7-9-25)11-17-13(2)27-19(21-17)15-10-14(26-3)4-5-16(15)20/h4-5,10H,6-9,11H2,1-3H3
InChIKeyPLNXBQHNORPFHE-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.81
Rot. Bonds5

About 3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole

3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole (PubChem CID 25384324) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is 3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole
PubChem CID25384324
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Name3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole
SMILESCOc1ccc(F)c(-c2nc(CN3CCN(c4nonc4C)CC3)c(C)o2)c1
InChIInChI=1S/C19H22FN5O3/c1-12-18(23-28-22-12)25-8-6-24(7-9-25)11-17-13(2)27-19(21-17)15-10-14(26-3)4-5-16(15)20/h4-5,10H,6-9,11H2,1-3H3
InChIKeyPLNXBQHNORPFHE-UHFFFAOYSA-N
XLogP2.81
TPSA80.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole with MolForge

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Related Compounds

2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42462882
1-[4-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 42516733
(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
4-[(4,4-difluoropiperidin-1-yl)methyl]-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 56870077
(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
(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
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-oxazole
CID 56741138
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(4-quinazolin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42358517
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45214788
1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56743698
[4-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 26396934

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 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) is 3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole is COc1ccc(F)c(-c2nc(CN3CCN(c4nonc4C)CC3)c(C)o2)c1.
What is the InChIKey of 3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is PLNXBQHNORPFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-12-18(23-28-22-12)25-8-6-24(7-9-25)11-17-13(2)27-19(21-17)15-10-14(26-3)4-5-16(15)20/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole?
3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 387.42 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 25384324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).