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

C17H25N5O2 — CID 71928356

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(Cc3nccn3C)C2)o1
InChIInChI=1S/C17H25N5O2/c1-4-15-9-19-17(24-15)12-22(13(2)23)14-5-7-21(10-14)11-16-18-6-8-20(16)3/h6,8-9,14H,4-5,7,10-12H2,1-3H3
InChIKeySUHWOGMYYHTTKV-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.59
Rot. Bonds6

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 71928356) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID71928356
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(Cc3nccn3C)C2)o1
InChIInChI=1S/C17H25N5O2/c1-4-15-9-19-17(24-15)12-22(13(2)23)14-5-7-21(10-14)11-16-18-6-8-20(16)3/h6,8-9,14H,4-5,7,10-12H2,1-3H3
InChIKeySUHWOGMYYHTTKV-UHFFFAOYSA-N
XLogP1.59
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 71872471
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CID 71872522
CID 71872522
CID 71872532
CID 71872532
CID 71872533
CID 71872533
CID 71872733
CID 71872733
CID 71928320
CID 71928320
CID 71928332
CID 71928332
CID 71928339
CID 71928339
CID 71928386
CID 71928386
CID 71928425
CID 71928425
CID 71928426
CID 71928426

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide (CID 71928356) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide is CCc1cnc(CN(C(C)=O)C2CCN(Cc3nccn3C)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is SUHWOGMYYHTTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-15-9-19-17(24-15)12-22(13(2)23)14-5-7-21(10-14)11-16-18-6-8-20(16)3/h6,8-9,14H,4-5,7,10-12H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71928356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).