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

C20H17F2N7O2 — CID 56568611

IUPACN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C20H17F2N7O2/c1-12-25-27-28-29(12)15-9-10-16(22)17(11-15)23-18(30)3-2-4-19-24-20(26-31-19)13-5-7-14(21)8-6-13/h5-11H,2-4H2,1H3,(H,23,30)
InChIKeyHOAVZNQXZBRTAY-UHFFFAOYSA-N
MW425.40 g/mol
LogP3.26
Rot. Bonds7

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

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (PubChem CID 56568611) has the molecular formula C20H17F2N7O2 and a molecular weight of 425.40 g/mol. Its IUPAC name is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
PubChem CID56568611
Molecular FormulaC20H17F2N7O2
Molecular Weight425.40 g/mol
Exact Mass425.14
IUPAC NameN-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1
InChIInChI=1S/C20H17F2N7O2/c1-12-25-27-28-29(12)15-9-10-16(22)17(11-15)23-18(30)3-2-4-19-24-20(26-31-19)13-5-7-14(21)8-6-13/h5-11H,2-4H2,1H3,(H,23,30)
InChIKeyHOAVZNQXZBRTAY-UHFFFAOYSA-N
XLogP3.26
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodo-2-methylphenyl)butanamide
CID 55684471
N-(5-acetamido-2-methylphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 46454649
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylbutanamide
CID 38886258
N-(5-chloro-2-methylphenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26692915
2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 56568481
N-(5-bromo-2-methoxyphenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55906165
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55427553
N-(2-fluoro-5-methylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18197998
N-(2,5-dichlorophenyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26687929
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentylbutanamide
CID 38885235
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 38931913

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The IUPAC name of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide (CID 56568611) is N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide.
What is the SMILES notation for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The canonical SMILES for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is Cc1nnnn1-c1ccc(F)c(NC(=O)CCCc2nc(-c3ccc(F)cc3)no2)c1.
What is the InChIKey of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
The InChIKey is HOAVZNQXZBRTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N7O2/c1-12-25-27-28-29(12)15-9-10-16(22)17(11-15)23-18(30)3-2-4-19-24-20(26-31-19)13-5-7-14(21)8-6-13/h5-11H,2-4H2,1H3,(H,23,30).
What are the key properties of N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide?
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide has a molecular weight of 425.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide is sourced from PubChem (CID 56568611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).