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

C17H24N4O3 — CID 71872512

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(Cc3cc(C)no3)C2)o1
InChIInChI=1S/C17H24N4O3/c1-4-15-8-18-17(23-15)11-21(13(3)22)14-5-6-20(9-14)10-16-7-12(2)19-24-16/h7-8,14H,4-6,9-11H2,1-3H3
InChIKeyZMZNMTFPUOPCGJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.16
Rot. Bonds6

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 71872512) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID71872512
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN(C(C)=O)C2CCN(Cc3cc(C)no3)C2)o1
InChIInChI=1S/C17H24N4O3/c1-4-15-8-18-17(23-15)11-21(13(3)22)14-5-6-20(9-14)10-16-7-12(2)19-24-16/h7-8,14H,4-6,9-11H2,1-3H3
InChIKeyZMZNMTFPUOPCGJ-UHFFFAOYSA-N
XLogP2.16
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide (CID 71872512) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide is CCc1cnc(CN(C(C)=O)C2CCN(Cc3cc(C)no3)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is ZMZNMTFPUOPCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-15-8-18-17(23-15)11-21(13(3)22)14-5-6-20(9-14)10-16-7-12(2)19-24-16/h7-8,14H,4-6,9-11H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 2.16, 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-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).