N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide

C12H11N3O2 — CID 22431746

IUPACN-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1CC1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H11N3O2/c16-10(13-9-6-7-9)12-15-14-11(17-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)
InChIKeyYJFUONHUEOVIIA-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.63
Rot. Bonds3

About N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide

N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 22431746) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID22431746
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1CC1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H11N3O2/c16-10(13-9-6-7-9)12-15-14-11(17-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)
InChIKeyYJFUONHUEOVIIA-UHFFFAOYSA-N
XLogP1.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 22431746) is N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide is O=C(NC1CC1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is YJFUONHUEOVIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-10(13-9-6-7-9)12-15-14-11(17-12)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16).
What are the key properties of N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 22431746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).