N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

C14H24N4O3 — CID 106255235

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H24N4O3/c1-3-14(4-2,9-19)8-16-12(20)11-17-13(21-18-11)10-6-5-7-15-10/h10,15,19H,3-9H2,1-2H3,(H,16,20)
InChIKeyKTWMHIKEWGRBPA-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.02
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 106255235) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID106255235
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H24N4O3/c1-3-14(4-2,9-19)8-16-12(20)11-17-13(21-18-11)10-6-5-7-15-10/h10,15,19H,3-9H2,1-2H3,(H,16,20)
InChIKeyKTWMHIKEWGRBPA-UHFFFAOYSA-N
XLogP1.02
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 106255235) is N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is CCC(CC)(CO)CNC(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is KTWMHIKEWGRBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-14(4-2,9-19)8-16-12(20)11-17-13(21-18-11)10-6-5-7-15-10/h10,15,19H,3-9H2,1-2H3,(H,16,20).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 106255235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).