4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole

C17H21F2N3O — CID 163350274

IUPAC4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCN(Cc3cc(F)cc(F)c3)C(C)C2)co1
InChIInChI=1S/C17H21F2N3O/c1-12-8-21(10-17-11-23-13(2)20-17)3-4-22(12)9-14-5-15(18)7-16(19)6-14/h5-7,11-12H,3-4,8-10H2,1-2H3
InChIKeyZNMJYGWKAIJRRU-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.97
Rot. Bonds4

About 4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole

4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 163350274) has the molecular formula C17H21F2N3O and a molecular weight of 321.37 g/mol. Its IUPAC name is 4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID163350274
Molecular FormulaC17H21F2N3O
Molecular Weight321.37 g/mol
Exact Mass321.17
IUPAC Name4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCN(Cc3cc(F)cc(F)c3)C(C)C2)co1
InChIInChI=1S/C17H21F2N3O/c1-12-8-21(10-17-11-23-13(2)20-17)3-4-22(12)9-14-5-15(18)7-16(19)6-14/h5-7,11-12H,3-4,8-10H2,1-2H3
InChIKeyZNMJYGWKAIJRRU-UHFFFAOYSA-N
XLogP2.97
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole with MolForge

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Related Compounds

4-[[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
CID 56906436
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 126900310
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-5-fluoroaniline
CID 112646168
1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 130996437
[3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-5-fluorophenyl]boronic acid
CID 79710898
(6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane
CID 124954668
4-[[4-(1-adamantyl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70728771
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol
CID 82979964
4-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2-methyl-1,3-oxazole
CID 155941681
(2S)-4-[(4-fluorophenyl)methyl]-2-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95297188
4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70783368
2-[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]-3-methylquinazolin-4-one
CID 163357216

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 163350274) is 4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2CCN(Cc3cc(F)cc(F)c3)C(C)C2)co1.
What is the InChIKey of 4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is ZNMJYGWKAIJRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O/c1-12-8-21(10-17-11-23-13(2)20-17)3-4-22(12)9-14-5-15(18)7-16(19)6-14/h5-7,11-12H,3-4,8-10H2,1-2H3.
What are the key properties of 4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 321.37 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 163350274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).