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

C18H28N4O3 — CID 71871791

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(CC(=O)N3CCCC3)C2)o1
InChIInChI=1S/C18H28N4O3/c1-3-16-10-19-17(25-16)12-22(14(2)23)15-6-9-20(11-15)13-18(24)21-7-4-5-8-21/h10,15H,3-9,11-13H2,1-2H3
InChIKeyCXJOIVLSSZGTMD-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.28
Rot. Bonds6

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 71871791) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide
PubChem CID71871791
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(CC(=O)N3CCCC3)C2)o1
InChIInChI=1S/C18H28N4O3/c1-3-16-10-19-17(25-16)12-22(14(2)23)15-6-9-20(11-15)13-18(24)21-7-4-5-8-21/h10,15H,3-9,11-13H2,1-2H3
InChIKeyCXJOIVLSSZGTMD-UHFFFAOYSA-N
XLogP1.28
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide (CID 71871791) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide is CCc1cnc(CN(C(C)=O)C2CCN(CC(=O)N3CCCC3)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is CXJOIVLSSZGTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-16-10-19-17(25-16)12-22(14(2)23)15-6-9-20(11-15)13-18(24)21-7-4-5-8-21/h10,15H,3-9,11-13H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71871791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).