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

C18H27N5O2 — CID 71928339

IUPACN-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(Cc2nccn2C)C1
InChIInChI=1S/C18H27N5O2/c1-13(2)16-9-20-18(25-16)12-23(14(3)24)15-5-7-22(10-15)11-17-19-6-8-21(17)4/h6,8-9,13,15H,5,7,10-12H2,1-4H3
InChIKeyHMROYOKHLGUVLF-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.15
Rot. Bonds6

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

N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 71928339) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID71928339
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(Cc2nccn2C)C1
InChIInChI=1S/C18H27N5O2/c1-13(2)16-9-20-18(25-16)12-23(14(3)24)15-5-7-22(10-15)11-17-19-6-8-21(17)4/h6,8-9,13,15H,5,7,10-12H2,1-4H3
InChIKeyHMROYOKHLGUVLF-UHFFFAOYSA-N
XLogP2.15
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.15
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-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide (CID 71928339) is N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-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-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide is CC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(Cc2nccn2C)C1.
What is the InChIKey of N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is HMROYOKHLGUVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13(2)16-9-20-18(25-16)12-23(14(3)24)15-5-7-22(10-15)11-17-19-6-8-21(17)4/h6,8-9,13,15H,5,7,10-12H2,1-4H3.
What are the key properties of N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide?
N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 2.15, 6 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-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 71928339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).