N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

C19H22N4O2 — CID 71872534

IUPACN-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2cccc(C#N)c2)C1
InChIInChI=1S/C19H22N4O2/c1-14-10-21-19(25-14)13-23(15(2)24)18-6-7-22(12-18)11-17-5-3-4-16(8-17)9-20/h3-5,8,10,18H,6-7,11-13H2,1-2H3
InChIKeyAFUKOJZOASDNFM-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.48
Rot. Bonds5

About N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide

N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 71872534) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID71872534
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2cccc(C#N)c2)C1
InChIInChI=1S/C19H22N4O2/c1-14-10-21-19(25-14)13-23(15(2)24)18-6-7-22(12-18)11-17-5-3-4-16(8-17)9-20/h3-5,8,10,18H,6-7,11-13H2,1-2H3
InChIKeyAFUKOJZOASDNFM-UHFFFAOYSA-N
XLogP2.48
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (CID 71872534) is N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is CC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2cccc(C#N)c2)C1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is AFUKOJZOASDNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-10-21-19(25-14)13-23(15(2)24)18-6-7-22(12-18)11-17-5-3-4-16(8-17)9-20/h3-5,8,10,18H,6-7,11-13H2,1-2H3.
What are the key properties of N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71872534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).