(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

C17H22N4O2 — CID 56790201

IUPAC(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN2Cc2nc(C)c(C)o2)n1
InChIInChI=1S/C17H22N4O2/c1-11-6-4-8-15(18-11)20-17(22)14-7-5-9-21(14)10-16-19-12(2)13(3)23-16/h4,6,8,14H,5,7,9-10H2,1-3H3,(H,18,20,22)/t14-/m0/s1
InChIKeyILPHVUWORKPYOZ-AWEZNQCLSA-N
MW314.39 g/mol
LogP2.60
Rot. Bonds4

About (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide

(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 56790201) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID56790201
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN2Cc2nc(C)c(C)o2)n1
InChIInChI=1S/C17H22N4O2/c1-11-6-4-8-15(18-11)20-17(22)14-7-5-9-21(14)10-16-19-12(2)13(3)23-16/h4,6,8,14H,5,7,9-10H2,1-3H3,(H,18,20,22)/t14-/m0/s1
InChIKeyILPHVUWORKPYOZ-AWEZNQCLSA-N
XLogP2.60
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide (CID 56790201) is (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is Cc1cccc(NC(=O)[C@@H]2CCCN2Cc2nc(C)c(C)o2)n1.
What is the InChIKey of (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is ILPHVUWORKPYOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-6-4-8-15(18-11)20-17(22)14-7-5-9-21(14)10-16-19-12(2)13(3)23-16/h4,6,8,14H,5,7,9-10H2,1-3H3,(H,18,20,22)/t14-/m0/s1.
What are the key properties of (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56790201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).