2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C23H25ClFN3O2 — CID 119556102

IUPAC2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C23H24FN3O2.ClH/c24-20-10-4-3-9-19(20)21-15-27-23(29-21)18-8-2-1-7-17(18)22(28)26-13-11-16-6-5-12-25-14-16;/h1-4,7-10,15-16,25H,5-6,11-14H2,(H,26,28);1H
InChIKeyBMCNJFNTUVCZFZ-UHFFFAOYSA-N
MW429.92 g/mol
LogP4.69
Rot. Bonds6

About 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119556102) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119556102
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC Name2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C23H24FN3O2.ClH/c24-20-10-4-3-9-19(20)21-15-27-23(29-21)18-8-2-1-7-17(18)22(28)26-13-11-16-6-5-12-25-14-16;/h1-4,7-10,15-16,25H,5-6,11-14H2,(H,26,28);1H
InChIKeyBMCNJFNTUVCZFZ-UHFFFAOYSA-N
XLogP4.69
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide
CID 119461006
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535420
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 36704068
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)benzamide
CID 36656774
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methylbutyl)benzamide
CID 36744321
methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate
CID 36654951
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
2-chloro-6-fluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119559044
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557947
5-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-carboxamide
CID 119558985

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119556102) is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1ccccc1-c1ncc(-c2ccccc2F)o1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is BMCNJFNTUVCZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2.ClH/c24-20-10-4-3-9-19(20)21-15-27-23(29-21)18-8-2-1-7-17(18)22(28)26-13-11-16-6-5-12-25-14-16;/h1-4,7-10,15-16,25H,5-6,11-14H2,(H,26,28);1H.
What are the key properties of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 429.92 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119556102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).