N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide

C12H20N4O2 — CID 71757369

IUPACN-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide
SMILESCC(=O)N(Cc1noc(C(C)C)n1)C1CCNC1
InChIInChI=1S/C12H20N4O2/c1-8(2)12-14-11(15-18-12)7-16(9(3)17)10-4-5-13-6-10/h8,10,13H,4-7H2,1-3H3
InChIKeyHKZKXXMEXHJIEG-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.90
Rot. Bonds4

About N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide

N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide (PubChem CID 71757369) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide
PubChem CID71757369
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide
SMILESCC(=O)N(Cc1noc(C(C)C)n1)C1CCNC1
InChIInChI=1S/C12H20N4O2/c1-8(2)12-14-11(15-18-12)7-16(9(3)17)10-4-5-13-6-10/h8,10,13H,4-7H2,1-3H3
InChIKeyHKZKXXMEXHJIEG-UHFFFAOYSA-N
XLogP0.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide?
The IUPAC name of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide (CID 71757369) is N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide is CC(=O)N(Cc1noc(C(C)C)n1)C1CCNC1.
What is the InChIKey of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide?
The InChIKey is HKZKXXMEXHJIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)12-14-11(15-18-12)7-16(9(3)17)10-4-5-13-6-10/h8,10,13H,4-7H2,1-3H3.
What are the key properties of N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide?
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide has a molecular weight of 252.32 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 71757369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).