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

C16H23N5O2 — CID 71872533

IUPACN-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2nccn2C)C1
InChIInChI=1S/C16H23N5O2/c1-12-8-18-16(23-12)11-21(13(2)22)14-4-6-20(9-14)10-15-17-5-7-19(15)3/h5,7-8,14H,4,6,9-11H2,1-3H3
InChIKeyRCJNHDTZUSOHRW-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.34
Rot. Bonds5

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

N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 71872533) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID71872533
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2nccn2C)C1
InChIInChI=1S/C16H23N5O2/c1-12-8-18-16(23-12)11-21(13(2)22)14-4-6-20(9-14)10-15-17-5-7-19(15)3/h5,7-8,14H,4,6,9-11H2,1-3H3
InChIKeyRCJNHDTZUSOHRW-UHFFFAOYSA-N
XLogP1.34
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide (CID 71872533) is N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is CC(=O)N(Cc1ncc(C)o1)C1CCN(Cc2nccn2C)C1.
What is the InChIKey of N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is RCJNHDTZUSOHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-8-18-16(23-12)11-21(13(2)22)14-4-6-20(9-14)10-15-17-5-7-19(15)3/h5,7-8,14H,4,6,9-11H2,1-3H3.
What are the key properties of N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide?
N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71872533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).