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

C17H25N5O3 — CID 71928320

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN2CCC(N(Cc3noc(CC)n3)C(C)=O)C2)o1
InChIInChI=1S/C17H25N5O3/c1-4-14-8-18-17(24-14)11-21-7-6-13(9-21)22(12(3)23)10-15-19-16(5-2)25-20-15/h8,13H,4-7,9-11H2,1-3H3
InChIKeyHHSCGTHJJIXGBA-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.81
Rot. Bonds7

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

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 71928320) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID71928320
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCCc1cnc(CN2CCC(N(Cc3noc(CC)n3)C(C)=O)C2)o1
InChIInChI=1S/C17H25N5O3/c1-4-14-8-18-17(24-14)11-21-7-6-13(9-21)22(12(3)23)10-15-19-16(5-2)25-20-15/h8,13H,4-7,9-11H2,1-3H3
InChIKeyHHSCGTHJJIXGBA-UHFFFAOYSA-N
XLogP1.81
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 71872522
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CID 71872532
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CID 71872533
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CID 71928425

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide (CID 71928320) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide is CCc1cnc(CN2CCC(N(Cc3noc(CC)n3)C(C)=O)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is HHSCGTHJJIXGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-4-14-8-18-17(24-14)11-21-7-6-13(9-21)22(12(3)23)10-15-19-16(5-2)25-20-15/h8,13H,4-7,9-11H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71928320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).