N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

C19H16F3N3O3 — CID 87026047

IUPACN-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
SMILESO=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C19H16F3N3O3/c20-14-11-13(9-10-15(14)27-19(21)22)23-16(26)7-4-8-17-24-25-18(28-17)12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,23,26)
InChIKeyDBNAYZDVPCRJNE-UHFFFAOYSA-N
MW391.35 g/mol
LogP4.44
Rot. Bonds8

About N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (PubChem CID 87026047) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
PubChem CID87026047
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC NameN-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
SMILESO=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C19H16F3N3O3/c20-14-11-13(9-10-15(14)27-19(21)22)23-16(26)7-4-8-17-24-25-18(28-17)12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,23,26)
InChIKeyDBNAYZDVPCRJNE-UHFFFAOYSA-N
XLogP4.44
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide;hydrochloride
CID 119295358
N-(3,4-difluorophenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334114
1-(3,4-dichlorophenyl)-3-[3-fluoro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]urea
CID 155811601
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
2-chloro-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 60807874
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106
[2-(4-fluoroanilino)-2-oxoethyl] 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 8003554
N-(4-acetamido-3-methylphenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46421722
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 55684452
N-(1-hydroxypropan-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 110890211
4-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]butanamide
CID 43712833

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (CID 87026047) is N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ccc(OC(F)F)c(F)c1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The InChIKey is DBNAYZDVPCRJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-14-11-13(9-10-15(14)27-19(21)22)23-16(26)7-4-8-17-24-25-18(28-17)12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,23,26).
What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide has a molecular weight of 391.35 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is sourced from PubChem (CID 87026047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).