N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C19H25N3O3 — CID 111463000

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-3-5-15(6-4-14)18-17(21-13-25-18)19(24)20-9-2-10-22-11-7-16(23)8-12-22/h3-6,13,16,23H,2,7-12H2,1H3,(H,20,24)
InChIKeyBPPBZRMMFROWSL-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.23
Rot. Bonds6

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 111463000) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID111463000
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)NCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C19H25N3O3/c1-14-3-5-15(6-4-14)18-17(21-13-25-18)19(24)20-9-2-10-22-11-7-16(23)8-12-22/h3-6,13,16,23H,2,7-12H2,1H3,(H,20,24)
InChIKeyBPPBZRMMFROWSL-UHFFFAOYSA-N
XLogP2.23
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111471045
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide
CID 111429498
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide
CID 111429581
N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463100
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 111434012
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111539069
N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111429573
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429617
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
2-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-4,5-dimethylbenzamide
CID 110027638

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 111463000) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)NCCCN2CCC(O)CC2)cc1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is BPPBZRMMFROWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-3-5-15(6-4-14)18-17(21-13-25-18)19(24)20-9-2-10-22-11-7-16(23)8-12-22/h3-6,13,16,23H,2,7-12H2,1H3,(H,20,24).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 111463000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).