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

C15H18FN3O2 — CID 110334016

IUPACN,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCN(CC)C(=O)CCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H18FN3O2/c1-3-19(4-2)14(20)10-9-13-17-18-15(21-13)11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyIIPXKLGFIGCZGX-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.68
Rot. Bonds6

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

N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334016) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110334016
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCN(CC)C(=O)CCc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C15H18FN3O2/c1-3-19(4-2)14(20)10-9-13-17-18-15(21-13)11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKeyIIPXKLGFIGCZGX-UHFFFAOYSA-N
XLogP2.68
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethyl-3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]urea
CID 110319164
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18115741
N-(4-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334045
N-[4-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334085
N-(2-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334044
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-piperidin-1-ylpropan-1-one
CID 110333957
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 110333959
N-ethyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)propanamide
CID 78855488
2-(2-chloroethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 39246914
2-ethyl-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]butanamide
CID 110319098
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
CID 110334066

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334016) is N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is CCN(CC)C(=O)CCc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is IIPXKLGFIGCZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-3-19(4-2)14(20)10-9-13-17-18-15(21-13)11-5-7-12(16)8-6-11/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 291.33 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).