N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine

C17H17F2N5O2 — CID 23019418

IUPACN-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
SMILESFc1cc(-c2cc(CNc3ccon3)on2)cc(F)c1N1CCNCC1
InChIInChI=1S/C17H17F2N5O2/c18-13-7-11(8-14(19)17(13)24-4-2-20-3-5-24)15-9-12(26-22-15)10-21-16-1-6-25-23-16/h1,6-9,20H,2-5,10H2,(H,21,23)
InChIKeyYXEUDGAQNDDNLE-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.63
Rot. Bonds5

About N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine

N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine (PubChem CID 23019418) has the molecular formula C17H17F2N5O2 and a molecular weight of 361.35 g/mol. Its IUPAC name is N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound NameN-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
PubChem CID23019418
Molecular FormulaC17H17F2N5O2
Molecular Weight361.35 g/mol
Exact Mass361.14
IUPAC NameN-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
SMILESFc1cc(-c2cc(CNc3ccon3)on2)cc(F)c1N1CCNCC1
InChIInChI=1S/C17H17F2N5O2/c18-13-7-11(8-14(19)17(13)24-4-2-20-3-5-24)15-9-12(26-22-15)10-21-16-1-6-25-23-16/h1,6-9,20H,2-5,10H2,(H,21,23)
InChIKeyYXEUDGAQNDDNLE-UHFFFAOYSA-N
XLogP2.63
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
CID 10154603
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
CID 10154656
1-[4-[2-Fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-hydroxyethanone
CID 10272371
1-[4-[2-Fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-pyrazol-1-ylethanone
CID 21071129
1-[4-[2-Fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone
CID 22022966
[3-(3,4-Difluorophenyl)-1,2-oxazol-5-yl]methyl-(1,2-oxazol-3-yl)carbamic acid
CID 23019397
2-Chloro-1-(4-{2-fluoro-4-[5-(isoxazol-3-ylaminomethyl)isoxazol-3-yl]phenyl}piperazin-1-yl)-ethanone
CID 23019399
N-[[3-(3,4-difluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
CID 23019402
1-(4-{2-Fluoro-4-[5-(isoxazol-3-ylaminomethyl)-isoxazol-3-yl]-phenyl}piperazin-1-yl)-2-phenoxyethanone
CID 23019405
1,2-Oxazol-3-yl-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]carbamic acid
CID 23019415
3-(3-Fluoro-4-piperazin-1-ylphenyl)-5-(isoxazol-3-ylaminomethyl)isoxazole
CID 23019417
N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
CID 23019428

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine?
The IUPAC name of N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine (CID 23019418) is N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine is Fc1cc(-c2cc(CNc3ccon3)on2)cc(F)c1N1CCNCC1.
What is the InChIKey of N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine?
The InChIKey is YXEUDGAQNDDNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2/c18-13-7-11(8-14(19)17(13)24-4-2-20-3-5-24)15-9-12(26-22-15)10-21-16-1-6-25-23-16/h1,6-9,20H,2-5,10H2,(H,21,23).
What are the key properties of N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine?
N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine has a molecular weight of 361.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-difluoro-4-piperazin-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 23019418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).