N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide

C6H9N3O2 — CID 91014434

IUPACN-propan-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)NC(=O)c1ncon1
InChIInChI=1S/C6H9N3O2/c1-4(2)8-6(10)5-7-3-11-9-5/h3-4H,1-2H3,(H,8,10)
InChIKeyINFKGRXTBULNCD-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.21
Rot. Bonds2

About N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide

N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 91014434) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1,2,4-oxadiazole-3-carboxamide
PubChem CID91014434
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-propan-2-yl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)NC(=O)c1ncon1
InChIInChI=1S/C6H9N3O2/c1-4(2)8-6(10)5-7-3-11-9-5/h3-4H,1-2H3,(H,8,10)
InChIKeyINFKGRXTBULNCD-UHFFFAOYSA-N
XLogP0.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide (CID 91014434) is N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide is CC(C)NC(=O)c1ncon1.
What is the InChIKey of N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is INFKGRXTBULNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4(2)8-6(10)5-7-3-11-9-5/h3-4H,1-2H3,(H,8,10).
What are the key properties of N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide?
N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 155.16 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 91014434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).