N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C23H25N5O3 — CID 75395584

IUPACN-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C23H25N5O3/c1-27(22(29)20-14-21(31-26-20)18-6-5-11-24-15-18)16-17-9-12-28(13-10-17)23(30)25-19-7-3-2-4-8-19/h2-8,11,14-15,17H,9-10,12-13,16H2,1H3,(H,25,30)
InChIKeyQQFHIAYJQCATHI-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.75
Rot. Bonds5

About N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 75395584) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID75395584
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C23H25N5O3/c1-27(22(29)20-14-21(31-26-20)18-6-5-11-24-15-18)16-17-9-12-28(13-10-17)23(30)25-19-7-3-2-4-8-19/h2-8,11,14-15,17H,9-10,12-13,16H2,1H3,(H,25,30)
InChIKeyQQFHIAYJQCATHI-UHFFFAOYSA-N
XLogP3.75
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

[3-(fluoromethyl)pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 163351427
N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide
CID 75476237
4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide
CID 75400177
N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119660427
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94024983
N-methyl-5-pyridin-3-yl-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46492404
(4-benzylsulfonylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 119105556
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991
(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 129400802
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;dihydrochloride
CID 120813991

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 75395584) is N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is QQFHIAYJQCATHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-27(22(29)20-14-21(31-26-20)18-6-5-11-24-15-18)16-17-9-12-28(13-10-17)23(30)25-19-7-3-2-4-8-19/h2-8,11,14-15,17H,9-10,12-13,16H2,1H3,(H,25,30).
What are the key properties of N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75395584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).