N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride

C24H29ClFN5O2 — CID 24786137

IUPACN-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2nnc(NCCCN3CCCCCC3)o2)cc1)c1ccccc1F
InChIInChI=1S/C24H28FN5O2.ClH/c25-21-9-4-3-8-20(21)22(31)27-19-12-10-18(11-13-19)23-28-29-24(32-23)26-14-7-17-30-15-5-1-2-6-16-30;/h3-4,8-13H,1-2,5-7,14-17H2,(H,26,29)(H,27,31);1H
InChIKeyAXSHXXLEFKZOLU-UHFFFAOYSA-N
MW473.98 g/mol
LogP5.23
Rot. Bonds8

About N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride

N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride (PubChem CID 24786137) has the molecular formula C24H29ClFN5O2 and a molecular weight of 473.98 g/mol. Its IUPAC name is N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride
PubChem CID24786137
Molecular FormulaC24H29ClFN5O2
Molecular Weight473.98 g/mol
Exact Mass473.20
IUPAC NameN-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2nnc(NCCCN3CCCCCC3)o2)cc1)c1ccccc1F
InChIInChI=1S/C24H28FN5O2.ClH/c25-21-9-4-3-8-20(21)22(31)27-19-12-10-18(11-13-19)23-28-29-24(32-23)26-14-7-17-30-15-5-1-2-6-16-30;/h3-4,8-13H,1-2,5-7,14-17H2,(H,26,29)(H,27,31);1H
InChIKeyAXSHXXLEFKZOLU-UHFFFAOYSA-N
XLogP5.23
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.98
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride with MolForge

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Related Compounds

2-fluoro-N-[4-[5-[3-[(1S,4R,7S)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 143585549
2,6-difluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 68973144
2-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593284
5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine
CID 135879429
2-fluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1086858
N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 61494179
2,6-difluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 68973386
O-(3-piperidin-1-ylpropylamino) N-[[2-chloro-4-[(2-fluorobenzoyl)amino]benzoyl]amino]carbamothioate
CID 87639729
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylbutanamide
CID 13185367
2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 50818069
5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 42609848
2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 118725742

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride?
The IUPAC name of N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride (CID 24786137) is N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride is Cl.O=C(Nc1ccc(-c2nnc(NCCCN3CCCCCC3)o2)cc1)c1ccccc1F.
What is the InChIKey of N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride?
The InChIKey is AXSHXXLEFKZOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2.ClH/c25-21-9-4-3-8-20(21)22(31)27-19-12-10-18(11-13-19)23-28-29-24(32-23)26-14-7-17-30-15-5-1-2-6-16-30;/h3-4,8-13H,1-2,5-7,14-17H2,(H,26,29)(H,27,31);1H.
What are the key properties of N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride?
N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride has a molecular weight of 473.98 g/mol, XLogP of 5.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3-(azepan-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide;hydrochloride is sourced from PubChem (CID 24786137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).