N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide

C24H17ClF2N2O3 — CID 16593328

IUPACN-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C24H17ClF2N2O3/c25-15-6-9-21(31-17-4-2-1-3-5-17)20(12-15)29-23(30)10-11-24-28-14-22(32-24)18-8-7-16(26)13-19(18)27/h1-9,12-14H,10-11H2,(H,29,30)
InChIKeyDBBRALNACXRBMR-UHFFFAOYSA-N
MW454.86 g/mol
LogP6.64
Rot. Bonds7

About N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide

N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16593328) has the molecular formula C24H17ClF2N2O3 and a molecular weight of 454.86 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16593328
Molecular FormulaC24H17ClF2N2O3
Molecular Weight454.86 g/mol
Exact Mass454.09
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C24H17ClF2N2O3/c25-15-6-9-21(31-17-4-2-1-3-5-17)20(12-15)29-23(30)10-11-24-28-14-22(32-24)18-8-7-16(26)13-19(18)27/h1-9,12-14H,10-11H2,(H,29,30)
InChIKeyDBBRALNACXRBMR-UHFFFAOYSA-N
XLogP6.64
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.86
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590665
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylphenoxy)phenyl]propanamide
CID 24608720
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16597484
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 17437155
2-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-(2-phenylethyl)benzamide
CID 16592578
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 55485978
N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29476568
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16591104
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 16590473
N-(1,3-benzothiazol-2-yl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16590688

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16593328) is N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is DBBRALNACXRBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N2O3/c25-15-6-9-21(31-17-4-2-1-3-5-17)20(12-15)29-23(30)10-11-24-28-14-22(32-24)18-8-7-16(26)13-19(18)27/h1-9,12-14H,10-11H2,(H,29,30).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 454.86 g/mol, XLogP of 6.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16593328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).