(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide

C17H28N4O2 — CID 94099341

IUPAC(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide
SMILESCc1cc([C@H]2CCCN2C(=O)NCCN2CCCC[C@@H]2C)on1
InChIInChI=1S/C17H28N4O2/c1-13-12-16(23-19-13)15-7-5-10-21(15)17(22)18-8-11-20-9-4-3-6-14(20)2/h12,14-15H,3-11H2,1-2H3,(H,18,22)/t14-,15+/m0/s1
InChIKeyGBTKTWPZIALKGR-LSDHHAIUSA-N
MW320.44 g/mol
LogP2.70
Rot. Bonds4

About (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide

(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 94099341) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide
PubChem CID94099341
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide
SMILESCc1cc([C@H]2CCCN2C(=O)NCCN2CCCC[C@@H]2C)on1
InChIInChI=1S/C17H28N4O2/c1-13-12-16(23-19-13)15-7-5-10-21(15)17(22)18-8-11-20-9-4-3-6-14(20)2/h12,14-15H,3-11H2,1-2H3,(H,18,22)/t14-,15+/m0/s1
InChIKeyGBTKTWPZIALKGR-LSDHHAIUSA-N
XLogP2.70
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
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(2S)-N-[(5-ethylthiophen-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
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(2S)-2-(3-methyl-1,2-oxazol-5-yl)-N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-1-carboxamide
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(2S)-N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 100836529

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide (CID 94099341) is (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide is Cc1cc([C@H]2CCCN2C(=O)NCCN2CCCC[C@@H]2C)on1.
What is the InChIKey of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is GBTKTWPZIALKGR-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-12-16(23-19-13)15-7-5-10-21(15)17(22)18-8-11-20-9-4-3-6-14(20)2/h12,14-15H,3-11H2,1-2H3,(H,18,22)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide?
(2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methyl-1,2-oxazol-5-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94099341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).