N-propyl-1,2,4-oxadiazole-3-carboxamide

C6H9N3O2 — CID 173219708

IUPACN-propyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCNC(=O)c1ncon1
InChIInChI=1S/C6H9N3O2/c1-2-3-7-6(10)5-8-4-11-9-5/h4H,2-3H2,1H3,(H,7,10)
InChIKeyIIYDVBJWLCQFAK-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.21
Rot. Bonds3

About N-propyl-1,2,4-oxadiazole-3-carboxamide

N-propyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 173219708) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is N-propyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-propyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID173219708
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC NameN-propyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCCNC(=O)c1ncon1
InChIInChI=1S/C6H9N3O2/c1-2-3-7-6(10)5-8-4-11-9-5/h4H,2-3H2,1H3,(H,7,10)
InChIKeyIIYDVBJWLCQFAK-UHFFFAOYSA-N
XLogP0.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-propyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-propyl-1,2,4-oxadiazole-3-carboxamide (CID 173219708) is N-propyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-propyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-propyl-1,2,4-oxadiazole-3-carboxamide is CCCNC(=O)c1ncon1.
What is the InChIKey of N-propyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is IIYDVBJWLCQFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-3-7-6(10)5-8-4-11-9-5/h4H,2-3H2,1H3,(H,7,10).
What are the key properties of N-propyl-1,2,4-oxadiazole-3-carboxamide?
N-propyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 155.16 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 173219708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).