N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide

C19H31N3O3 — CID 56720964

IUPACN-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(CCCC1CCCC1)C(=O)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C19H31N3O3/c1-21(10-4-7-15-5-2-3-6-15)19(24)18-13-17(25-20-18)14-22-11-8-16(23)9-12-22/h13,15-16,23H,2-12,14H2,1H3
InChIKeyYTIODSMOWAJWGL-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.67
Rot. Bonds7

About N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide

N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 56720964) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID56720964
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCN(CCCC1CCCC1)C(=O)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C19H31N3O3/c1-21(10-4-7-15-5-2-3-6-15)19(24)18-13-17(25-20-18)14-22-11-8-16(23)9-12-22/h13,15-16,23H,2-12,14H2,1H3
InChIKeyYTIODSMOWAJWGL-UHFFFAOYSA-N
XLogP2.67
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 56720964) is N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide is CN(CCCC1CCCC1)C(=O)c1cc(CN2CCC(O)CC2)on1.
What is the InChIKey of N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YTIODSMOWAJWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-21(10-4-7-15-5-2-3-6-15)19(24)18-13-17(25-20-18)14-22-11-8-16(23)9-12-22/h13,15-16,23H,2-12,14H2,1H3.
What are the key properties of N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56720964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).