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

C17H23N5O3 — CID 71872444

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C2CC2)n1)C1CCN(Cc2cc(C)on2)C1
InChIInChI=1S/C17H23N5O3/c1-11-7-14(19-24-11)8-21-6-5-15(9-21)22(12(2)23)10-16-18-17(25-20-16)13-3-4-13/h7,13,15H,3-6,8-10H2,1-2H3
InChIKeyOYSUXAFJUWGMEA-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.87
Rot. Bonds6

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 71872444) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID71872444
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1noc(C2CC2)n1)C1CCN(Cc2cc(C)on2)C1
InChIInChI=1S/C17H23N5O3/c1-11-7-14(19-24-11)8-21-6-5-15(9-21)22(12(2)23)10-16-18-17(25-20-16)13-3-4-13/h7,13,15H,3-6,8-10H2,1-2H3
InChIKeyOYSUXAFJUWGMEA-UHFFFAOYSA-N
XLogP1.87
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide (CID 71872444) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1noc(C2CC2)n1)C1CCN(Cc2cc(C)on2)C1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is OYSUXAFJUWGMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-7-14(19-24-11)8-21-6-5-15(9-21)22(12(2)23)10-16-18-17(25-20-16)13-3-4-13/h7,13,15H,3-6,8-10H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).