N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide

C11H18N4O3 — CID 122566180

IUPACN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide
SMILESCC(C)(C)c1noc(CNC(=O)N2CC(O)C2)n1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)9-13-8(18-14-9)4-12-10(17)15-5-7(16)6-15/h7,16H,4-6H2,1-3H3,(H,12,17)
InChIKeyLJELCDTWYLIPGX-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.25
Rot. Bonds2

About N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide

N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide (PubChem CID 122566180) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide
PubChem CID122566180
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide
SMILESCC(C)(C)c1noc(CNC(=O)N2CC(O)C2)n1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)9-13-8(18-14-9)4-12-10(17)15-5-7(16)6-15/h7,16H,4-6H2,1-3H3,(H,12,17)
InChIKeyLJELCDTWYLIPGX-UHFFFAOYSA-N
XLogP0.25
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide (CID 122566180) is N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide is CC(C)(C)c1noc(CNC(=O)N2CC(O)C2)n1.
What is the InChIKey of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide?
The InChIKey is LJELCDTWYLIPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2,3)9-13-8(18-14-9)4-12-10(17)15-5-7(16)6-15/h7,16H,4-6H2,1-3H3,(H,12,17).
What are the key properties of N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide?
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide is sourced from PubChem (CID 122566180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).