N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide

C19H18FN3O4 — CID 110334072

IUPACN-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2nnc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H18FN3O4/c1-25-14-7-8-16(26-2)15(11-14)21-17(24)9-10-18-22-23-19(27-18)12-3-5-13(20)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyQDKUHMNMXLPAMP-UHFFFAOYSA-N
MW371.37 g/mol
LogP3.46
Rot. Bonds7

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

N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334072) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110334072
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2nnc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H18FN3O4/c1-25-14-7-8-16(26-2)15(11-14)21-17(24)9-10-18-22-23-19(27-18)12-3-5-13(20)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyQDKUHMNMXLPAMP-UHFFFAOYSA-N
XLogP3.46
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
CID 110334066
N-(2-methoxy-5-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29206098
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
N-(5-fluoro-2-phenoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 86885344
N-(2-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334044
N-(5-chloro-2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334804
N-(2,4-difluorophenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334834
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
CID 109037732
N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 51159707
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(3,4-difluorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334114
N-(3,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334102

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334072) is N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is COc1ccc(OC)c(NC(=O)CCc2nnc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is QDKUHMNMXLPAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-25-14-7-8-16(26-2)15(11-14)21-17(24)9-10-18-22-23-19(27-18)12-3-5-13(20)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 371.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).