5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide

C18H13ClFN7O2 — CID 49179154

IUPAC5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1-n1cnnn1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H13ClFN7O2/c1-10(18-23-16(24-29-18)11-2-5-13(20)6-3-11)22-17(28)14-8-12(19)4-7-15(14)27-9-21-25-26-27/h2-10H,1H3,(H,22,28)
InChIKeyWWMLODFZXRVIDQ-UHFFFAOYSA-N
MW413.80 g/mol
LogP3.00
Rot. Bonds5

About 5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide

5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 49179154) has the molecular formula C18H13ClFN7O2 and a molecular weight of 413.80 g/mol. Its IUPAC name is 5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID49179154
Molecular FormulaC18H13ClFN7O2
Molecular Weight413.80 g/mol
Exact Mass413.08
IUPAC Name5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCC(NC(=O)c1cc(Cl)ccc1-n1cnnn1)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H13ClFN7O2/c1-10(18-23-16(24-29-18)11-2-5-13(20)6-3-11)22-17(28)14-8-12(19)4-7-15(14)27-9-21-25-26-27/h2-10H,1H3,(H,22,28)
InChIKeyWWMLODFZXRVIDQ-UHFFFAOYSA-N
XLogP3.00
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
2-(2,4-dichlorophenyl)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 49179679
5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide
CID 95141288
2-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-nitrobenzamide
CID 49179767
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
5-chloro-N-[(2S)-4-phenylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 39894608
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 49179701
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 52513103
N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51150347
2-(2-cyanophenyl)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 49179532
5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 29131110
1-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(3-methylbutan-2-yl)urea
CID 49261280

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide (CID 49179154) is 5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide is CC(NC(=O)c1cc(Cl)ccc1-n1cnnn1)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is WWMLODFZXRVIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN7O2/c1-10(18-23-16(24-29-18)11-2-5-13(20)6-3-11)22-17(28)14-8-12(19)4-7-15(14)27-9-21-25-26-27/h2-10H,1H3,(H,22,28).
What are the key properties of 5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide?
5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 413.80 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 49179154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).