N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

C17H23N5O2 — CID 100871535

IUPACN-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(C[C@@H](C#N)CCC#N)C1
InChIInChI=1S/C17H23N5O2/c1-13-9-20-17(24-13)12-22(14(2)23)16-5-7-21(11-16)10-15(8-19)4-3-6-18/h9,15-16H,3-5,7,10-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyCSUFRXAXFSMBBQ-HZPDHXFCSA-N
MW329.40 g/mol
LogP1.85
Rot. Bonds7

About N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 100871535) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID100871535
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(C[C@@H](C#N)CCC#N)C1
InChIInChI=1S/C17H23N5O2/c1-13-9-20-17(24-13)12-22(14(2)23)16-5-7-21(11-16)10-15(8-19)4-3-6-18/h9,15-16H,3-5,7,10-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyCSUFRXAXFSMBBQ-HZPDHXFCSA-N
XLogP1.85
TPSA97.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (CID 100871535) is N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(C[C@@H](C#N)CCC#N)C1.
What is the InChIKey of N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is CSUFRXAXFSMBBQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-9-20-17(24-13)12-22(14(2)23)16-5-7-21(11-16)10-15(8-19)4-3-6-18/h9,15-16H,3-5,7,10-12H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2S)-2,4-dicyanobutyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 100871535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).