4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride

C19H27Cl2N3O2 — CID 119460102

IUPAC4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride
SMILESCl.Cl.O=C(CCCc1ncc(-c2ccccc2)o1)NCC1CCCNC1
InChIInChI=1S/C19H25N3O2.2ClH/c23-18(21-13-15-6-5-11-20-12-15)9-4-10-19-22-14-17(24-19)16-7-2-1-3-8-16;;/h1-3,7-8,14-15,20H,4-6,9-13H2,(H,21,23);2*1H
InChIKeyGRYLCDZCCKPARO-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.62
Rot. Bonds7

About 4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride

4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride (PubChem CID 119460102) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is 4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride
PubChem CID119460102
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC Name4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride
SMILESCl.Cl.O=C(CCCc1ncc(-c2ccccc2)o1)NCC1CCCNC1
InChIInChI=1S/C19H25N3O2.2ClH/c23-18(21-13-15-6-5-11-20-12-15)9-4-10-19-22-14-17(24-19)16-7-2-1-3-8-16;;/h1-3,7-8,14-15,20H,4-6,9-13H2,(H,21,23);2*1H
InChIKeyGRYLCDZCCKPARO-UHFFFAOYSA-N
XLogP3.62
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride 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

3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride
CID 119556270
4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119533664
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)propanamide
CID 119459738
4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119390880
N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
CID 120601511
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30822933
N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
CID 119613032
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 119391777
1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 119470188

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride?
The IUPAC name of 4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride (CID 119460102) is 4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride.
What is the SMILES notation for 4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride?
The canonical SMILES for 4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride is Cl.Cl.O=C(CCCc1ncc(-c2ccccc2)o1)NCC1CCCNC1.
What is the InChIKey of 4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride?
The InChIKey is GRYLCDZCCKPARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c23-18(21-13-15-6-5-11-20-12-15)9-4-10-19-22-14-17(24-19)16-7-2-1-3-8-16;;/h1-3,7-8,14-15,20H,4-6,9-13H2,(H,21,23);2*1H.
What are the key properties of 4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride?
4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride is sourced from PubChem (CID 119460102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).