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

C18H13Cl2FN2O2 — CID 16590384

IUPACN-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2FN2O2/c19-14-6-5-13(9-15(14)20)23-17(24)7-8-18-22-10-16(25-18)11-1-3-12(21)4-2-11/h1-6,9-10H,7-8H2,(H,23,24)
InChIKeyWJVWKPAWVRNAHC-UHFFFAOYSA-N
MW379.22 g/mol
LogP5.36
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 16590384) has the molecular formula C18H13Cl2FN2O2 and a molecular weight of 379.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID16590384
Molecular FormulaC18H13Cl2FN2O2
Molecular Weight379.22 g/mol
Exact Mass378.03
IUPAC NameN-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H13Cl2FN2O2/c19-14-6-5-13(9-15(14)20)23-17(24)7-8-18-22-10-16(25-18)11-1-3-12(21)4-2-11/h1-6,9-10H,7-8H2,(H,23,24)
InChIKeyWJVWKPAWVRNAHC-UHFFFAOYSA-N
XLogP5.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.22
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272
4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-N-methylbenzamide
CID 16598099
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41293283
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490406
N-(3-chloro-4-methoxyphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16591918
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluorophenyl)propanamide
CID 16583617
N-ethyl-4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 55802153
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30839863
N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16592021
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-methylphenyl)propanamide
CID 16590390
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 78834702

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 16590384) is N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is WJVWKPAWVRNAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O2/c19-14-6-5-13(9-15(14)20)23-17(24)7-8-18-22-10-16(25-18)11-1-3-12(21)4-2-11/h1-6,9-10H,7-8H2,(H,23,24).
What are the key properties of N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 379.22 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 16590384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).