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

C10H16N4O2 — CID 91927829

IUPACN-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
SMILESCC(C)c1noc(CNC(=O)C2CNC2)n1
InChIInChI=1S/C10H16N4O2/c1-6(2)9-13-8(16-14-9)5-12-10(15)7-3-11-4-7/h6-7,11H,3-5H2,1-2H3,(H,12,15)
InChIKeyHPNJBJQUISPGQY-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.03
Rot. Bonds4

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

N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide (PubChem CID 91927829) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
PubChem CID91927829
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
SMILESCC(C)c1noc(CNC(=O)C2CNC2)n1
InChIInChI=1S/C10H16N4O2/c1-6(2)9-13-8(16-14-9)5-12-10(15)7-3-11-4-7/h6-7,11H,3-5H2,1-2H3,(H,12,15)
InChIKeyHPNJBJQUISPGQY-UHFFFAOYSA-N
XLogP0.03
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?
The IUPAC name of N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide (CID 91927829) is N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?
The canonical SMILES for N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide is CC(C)c1noc(CNC(=O)C2CNC2)n1.
What is the InChIKey of N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?
The InChIKey is HPNJBJQUISPGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6(2)9-13-8(16-14-9)5-12-10(15)7-3-11-4-7/h6-7,11H,3-5H2,1-2H3,(H,12,15).
What are the key properties of N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide?
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 91927829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).