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

C18H12Cl2F2N2O2 — CID 16590665

IUPACN-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H12Cl2F2N2O2/c19-10-5-11(20)7-13(6-10)24-17(25)3-4-18-23-9-16(26-18)14-2-1-12(21)8-15(14)22/h1-2,5-9H,3-4H2,(H,24,25)
InChIKeyQYRWGACJEIPHBT-UHFFFAOYSA-N
MW397.21 g/mol
LogP5.50
Rot. Bonds5

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

N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16590665) has the molecular formula C18H12Cl2F2N2O2 and a molecular weight of 397.21 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16590665
Molecular FormulaC18H12Cl2F2N2O2
Molecular Weight397.21 g/mol
Exact Mass396.02
IUPAC NameN-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H12Cl2F2N2O2/c19-10-5-11(20)7-13(6-10)24-17(25)3-4-18-23-9-16(26-18)14-2-1-12(21)8-15(14)22/h1-2,5-9H,3-4H2,(H,24,25)
InChIKeyQYRWGACJEIPHBT-UHFFFAOYSA-N
XLogP5.50
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.21
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N'-[3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoyl]benzohydrazide
CID 55485978
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 16590473
N-(2-aminoethyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 119383503
N-(5-chloro-2-phenoxyphenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16593328
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16593746
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(2,3-dimethylphenyl)propanamide
CID 17437155
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 29476568
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119501785
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16601238
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 18162891
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16592563

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16590665) is N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is QYRWGACJEIPHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F2N2O2/c19-10-5-11(20)7-13(6-10)24-17(25)3-4-18-23-9-16(26-18)14-2-1-12(21)8-15(14)22/h1-2,5-9H,3-4H2,(H,24,25).
What are the key properties of N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 397.21 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16590665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).