3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

C24H26F2N4O2 — CID 43067002

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H26F2N4O2/c25-19-7-4-8-20(26)24(19)21-17-28-23(32-21)10-9-22(31)27-11-12-29-13-15-30(16-14-29)18-5-2-1-3-6-18/h1-8,17H,9-16H2,(H,27,31)
InChIKeyNCGOTQXNJVVNCB-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.49
Rot. Bonds8

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide (PubChem CID 43067002) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
PubChem CID43067002
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H26F2N4O2/c25-19-7-4-8-20(26)24(19)21-17-28-23(32-21)10-9-22(31)27-11-12-29-13-15-30(16-14-29)18-5-2-1-3-6-18/h1-8,17H,9-16H2,(H,27,31)
InChIKeyNCGOTQXNJVVNCB-UHFFFAOYSA-N
XLogP3.49
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119446701
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,2-diphenylethyl)propanamide
CID 46446286
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 30885363
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 43062500
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
N-[1-[3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455789
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-pyridin-4-ylpropanamide
CID 17454266
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-phenylpropanamide
CID 29494121
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)propanamide
CID 46418733
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide (CID 43067002) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide is O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is NCGOTQXNJVVNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c25-19-7-4-8-20(26)24(19)21-17-28-23(32-21)10-9-22(31)27-11-12-29-13-15-30(16-14-29)18-5-2-1-3-6-18/h1-8,17H,9-16H2,(H,27,31).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 440.49 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 43067002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).