N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide

C23H26FN7O4S — CID 24757422

IUPACN-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1)C1CNCS1
InChIInChI=1S/C23H26FN7O4S/c24-17-9-15(18-10-16(35-28-18)11-26-21-3-8-34-29-21)1-2-19(17)30-4-6-31(7-5-30)22(32)13-27-23(33)20-12-25-14-36-20/h1-3,8-10,20,25H,4-7,11-14H2,(H,26,29)(H,27,33)
InChIKeyYIKWFRNPGFYXRC-UHFFFAOYSA-N
MW515.57 g/mol
LogP1.51
Rot. Bonds8

About N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide

N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide (PubChem CID 24757422) has the molecular formula C23H26FN7O4S and a molecular weight of 515.57 g/mol. Its IUPAC name is N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide
PubChem CID24757422
Molecular FormulaC23H26FN7O4S
Molecular Weight515.57 g/mol
Exact Mass515.18
IUPAC NameN-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1)C1CNCS1
InChIInChI=1S/C23H26FN7O4S/c24-17-9-15(18-10-16(35-28-18)11-26-21-3-8-34-29-21)1-2-19(17)30-4-6-31(7-5-30)22(32)13-27-23(33)20-12-25-14-36-20/h1-3,8-10,20,25H,4-7,11-14H2,(H,26,29)(H,27,33)
InChIKeyYIKWFRNPGFYXRC-UHFFFAOYSA-N
XLogP1.51
TPSA128.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide with MolForge

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Related Compounds

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
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
3-(3-Fluoro-4-piperazin-1-ylphenyl)-5-(isoxazol-3-ylaminomethyl)isoxazole
CID 23019417
[3-(3,5-Difluoro-4-piperazin-1-ylphenyl)isoxazol-5-ylmethyl]isoxazol-3-ylamine
CID 23019418
N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]-1,2-oxazol-3-amine
CID 23019428
N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 24757421
N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-methoxyacetamide
CID 24757423
3-(carbamoylamino)-N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]propanamide
CID 24757515
N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-2-nitrobenzamide
CID 24757609

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide?
The IUPAC name of N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide (CID 24757422) is N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide.
What is the SMILES notation for N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide?
The canonical SMILES for N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide is O=C(NCC(=O)N1CCN(c2ccc(-c3cc(CNc4ccon4)on3)cc2F)CC1)C1CNCS1.
What is the InChIKey of N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide?
The InChIKey is YIKWFRNPGFYXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O4S/c24-17-9-15(18-10-16(35-28-18)11-26-21-3-8-34-29-21)1-2-19(17)30-4-6-31(7-5-30)22(32)13-27-23(33)20-12-25-14-36-20/h1-3,8-10,20,25H,4-7,11-14H2,(H,26,29)(H,27,33).
What are the key properties of N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide?
N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide has a molecular weight of 515.57 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-fluoro-4-[5-[(1,2-oxazol-3-ylamino)methyl]-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-5-carboxamide is sourced from PubChem (CID 24757422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).