(5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C16H17N5O2 — CID 164630961

IUPAC(5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)o1
InChIInChI=1S/C16H17N5O2/c1-11-9-17-15(23-11)16(22)20-7-4-5-12(10-20)14-19-18-13-6-2-3-8-21(13)14/h2-3,6,8-9,12H,4-5,7,10H2,1H3/t12-/m0/s1
InChIKeyUJRTXCYUDMPGMB-LBPRGKRZSA-N
MW311.35 g/mol
LogP2.05
Rot. Bonds2

About (5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

(5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 164630961) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID164630961
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name(5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)o1
InChIInChI=1S/C16H17N5O2/c1-11-9-17-15(23-11)16(22)20-7-4-5-12(10-20)14-19-18-13-6-2-3-8-21(13)14/h2-3,6,8-9,12H,4-5,7,10H2,1H3/t12-/m0/s1
InChIKeyUJRTXCYUDMPGMB-LBPRGKRZSA-N
XLogP2.05
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 164630961) is (5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is Cc1cnc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)o1.
What is the InChIKey of (5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is UJRTXCYUDMPGMB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11-9-17-15(23-11)16(22)20-7-4-5-12(10-20)14-19-18-13-6-2-3-8-21(13)14/h2-3,6,8-9,12H,4-5,7,10H2,1H3/t12-/m0/s1.
What are the key properties of (5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
(5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 311.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-oxazol-2-yl)-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 164630961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).