N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide

C22H24N4O2 — CID 92572171

IUPACN-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1
InChIInChI=1S/C22H24N4O2/c27-22(24-18-6-7-18)21-12-20(25-28-21)17-4-2-10-26(14-17)13-15-5-8-19-16(11-15)3-1-9-23-19/h1,3,5,8-9,11-12,17-18H,2,4,6-7,10,13-14H2,(H,24,27)/t17-/m1/s1
InChIKeyOORNBEFDGOOIMU-QGZVFWFLSA-N
MW376.46 g/mol
LogP3.49
Rot. Bonds5

About N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide

N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92572171) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID92572171
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CC1)c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1
InChIInChI=1S/C22H24N4O2/c27-22(24-18-6-7-18)21-12-20(25-28-21)17-4-2-10-26(14-17)13-15-5-8-19-16(11-15)3-1-9-23-19/h1,3,5,8-9,11-12,17-18H,2,4,6-7,10,13-14H2,(H,24,27)/t17-/m1/s1
InChIKeyOORNBEFDGOOIMU-QGZVFWFLSA-N
XLogP3.49
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyrrolidin-1-yl-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228870
pyrrolidin-1-yl-[3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 92572169
(4-methylpiperidin-1-yl)-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228887
(4-methylpiperidin-1-yl)-[3-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 92584156
N-cyclopropyl-3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228950
N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92568130
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
CID 92574817
N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92576546
N-cyclohexyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110252063
N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124961712
N-cyclopropyl-3-[(3S)-1-[(8-methoxyquinolin-2-yl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92601009

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 92572171) is N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is O=C(NC1CC1)c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1.
What is the InChIKey of N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is OORNBEFDGOOIMU-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(24-18-6-7-18)21-12-20(25-28-21)17-4-2-10-26(14-17)13-15-5-8-19-16(11-15)3-1-9-23-19/h1,3,5,8-9,11-12,17-18H,2,4,6-7,10,13-14H2,(H,24,27)/t17-/m1/s1.
What are the key properties of N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92572171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).