2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide

C27H32FN5O3 — CID 50818069

IUPAC2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCN(CCc1noc(-c2ccc(C(=O)NCCCN3CCCCC3)cc2)n1)C(=O)c1ccccc1F
InChIInChI=1S/C27H32FN5O3/c1-32(27(35)22-8-3-4-9-23(22)28)19-14-24-30-26(36-31-24)21-12-10-20(11-13-21)25(34)29-15-7-18-33-16-5-2-6-17-33/h3-4,8-13H,2,5-7,14-19H2,1H3,(H,29,34)
InChIKeyUNOVEZFDZNOFIC-UHFFFAOYSA-N
MW493.58 g/mol
LogP3.80
Rot. Bonds10

About 2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide

2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide (PubChem CID 50818069) has the molecular formula C27H32FN5O3 and a molecular weight of 493.58 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
PubChem CID50818069
Molecular FormulaC27H32FN5O3
Molecular Weight493.58 g/mol
Exact Mass493.25
IUPAC Name2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCN(CCc1noc(-c2ccc(C(=O)NCCCN3CCCCC3)cc2)n1)C(=O)c1ccccc1F
InChIInChI=1S/C27H32FN5O3/c1-32(27(35)22-8-3-4-9-23(22)28)19-14-24-30-26(36-31-24)21-12-10-20(11-13-21)25(34)29-15-7-18-33-16-5-2-6-17-33/h3-4,8-13H,2,5-7,14-19H2,1H3,(H,29,34)
InChIKeyUNOVEZFDZNOFIC-UHFFFAOYSA-N
XLogP3.80
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 110753364
2-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055755
N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 92895190
2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055628
N-[3-(azepan-1-yl)propyl]-5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-carboxamide
CID 53119636
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
3-(3-ethoxypropyl)-1-methyl-1-[2-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 50828552
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 20917018
N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 50817998
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 134046699

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide (CID 50818069) is 2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide is CN(CCc1noc(-c2ccc(C(=O)NCCCN3CCCCC3)cc2)n1)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The InChIKey is UNOVEZFDZNOFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O3/c1-32(27(35)22-8-3-4-9-23(22)28)19-14-24-30-26(36-31-24)21-12-10-20(11-13-21)25(34)29-15-7-18-33-16-5-2-6-17-33/h3-4,8-13H,2,5-7,14-19H2,1H3,(H,29,34).
What are the key properties of 2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide has a molecular weight of 493.58 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[2-[5-[4-(3-piperidin-1-ylpropylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 50818069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).