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

C16H20N4O2 — CID 125440680

IUPAC3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)on1
InChIInChI=1S/C16H20N4O2/c1-12-8-15(22-19-12)16(21)18-14-5-3-7-20(11-14)10-13-4-2-6-17-9-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyUTJZTNGZVHAETR-AWEZNQCLSA-N
MW300.36 g/mol
LogP1.77
Rot. Bonds4

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

3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 125440680) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID125440680
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)on1
InChIInChI=1S/C16H20N4O2/c1-12-8-15(22-19-12)16(21)18-14-5-3-7-20(11-14)10-13-4-2-6-17-9-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3,(H,18,21)/t14-/m0/s1
InChIKeyUTJZTNGZVHAETR-AWEZNQCLSA-N
XLogP1.77
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
CID 91778553
2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 124758694
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575
6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 124855297
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 125441300
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide
CID 97133366
N-(oxan-3-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 110228833
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 118794907
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
CID 125173839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide (CID 125440680) is 3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)N[C@H]2CCCN(Cc3cccnc3)C2)on1.
What is the InChIKey of 3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is UTJZTNGZVHAETR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-8-15(22-19-12)16(21)18-14-5-3-7-20(11-14)10-13-4-2-6-17-9-13/h2,4,6,8-9,14H,3,5,7,10-11H2,1H3,(H,18,21)/t14-/m0/s1.
What are the key properties of 3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 125440680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).