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

C22H22FN3O2 — CID 119461006

IUPAC2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C22H22FN3O2/c23-19-10-4-3-9-18(19)20-14-26-22(28-20)17-8-2-1-7-16(17)21(27)25-13-15-6-5-11-24-12-15/h1-4,7-10,14-15,24H,5-6,11-13H2,(H,25,27)
InChIKeyGPWMWDUYGVCNSK-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.88
Rot. Bonds5

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

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119461006) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119461006
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1ccccc1-c1ncc(-c2ccccc2F)o1
InChIInChI=1S/C22H22FN3O2/c23-19-10-4-3-9-18(19)20-14-26-22(28-20)17-8-2-1-7-16(17)21(27)25-13-15-6-5-11-24-12-15/h1-4,7-10,14-15,24H,5-6,11-13H2,(H,25,27)
InChIKeyGPWMWDUYGVCNSK-UHFFFAOYSA-N
XLogP3.88
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556102
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
N-butan-2-yl-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 42945534
methyl 4-[[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]butanoate
CID 36654951
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512405
[(2R)-oxolan-2-yl]methyl 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoate
CID 97014554
2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464048
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462968

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide (CID 119461006) is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide is O=C(NCC1CCCNC1)c1ccccc1-c1ncc(-c2ccccc2F)o1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is GPWMWDUYGVCNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-19-10-4-3-9-18(19)20-14-26-22(28-20)17-8-2-1-7-16(17)21(27)25-13-15-6-5-11-24-12-15/h1-4,7-10,14-15,24H,5-6,11-13H2,(H,25,27).
What are the key properties of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide?
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 379.44 g/mol, XLogP of 3.88, 5 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-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119461006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).