N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide

C17H28N4O3 — CID 71872459

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1nc(CN(C(C)=O)C2CCN(CC3CCOCC3)C2)no1
InChIInChI=1S/C17H28N4O3/c1-3-17-18-16(19-24-17)12-21(13(2)22)15-4-7-20(11-15)10-14-5-8-23-9-6-14/h14-15H,3-12H2,1-2H3
InChIKeyMVCVUYURXAYPOF-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.48
Rot. Bonds6

About N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide (PubChem CID 71872459) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide
PubChem CID71872459
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide
SMILESCCc1nc(CN(C(C)=O)C2CCN(CC3CCOCC3)C2)no1
InChIInChI=1S/C17H28N4O3/c1-3-17-18-16(19-24-17)12-21(13(2)22)15-4-7-20(11-15)10-14-5-8-23-9-6-14/h14-15H,3-12H2,1-2H3
InChIKeyMVCVUYURXAYPOF-UHFFFAOYSA-N
XLogP1.48
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide (CID 71872459) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide is CCc1nc(CN(C(C)=O)C2CCN(CC3CCOCC3)C2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is MVCVUYURXAYPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-17-18-16(19-24-17)12-21(13(2)22)15-4-7-20(11-15)10-14-5-8-23-9-6-14/h14-15H,3-12H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).