N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

C13H13N3O3 — CID 110392032

IUPACN-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(-c2nnc(C(=O)NC3CC3)o2)cc1
InChIInChI=1S/C13H13N3O3/c1-18-10-6-2-8(3-7-10)12-15-16-13(19-12)11(17)14-9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,14,17)
InChIKeyUORHRUYVHXDOTK-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.64
Rot. Bonds4

About N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide

N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392032) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392032
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(-c2nnc(C(=O)NC3CC3)o2)cc1
InChIInChI=1S/C13H13N3O3/c1-18-10-6-2-8(3-7-10)12-15-16-13(19-12)11(17)14-9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,14,17)
InChIKeyUORHRUYVHXDOTK-UHFFFAOYSA-N
XLogP1.64
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431746
5-(4-methoxyphenyl)-N-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110392031
N-cyclopentyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431706
N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4876781
5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
CID 110391563
N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2710942
N-cyclohexyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431707
N-(4-acetamidophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392173
N-[4-[(5-chloro-1-benzofuran-2-carbonyl)amino]cyclohexyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 175471553
N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53011956
N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
N-cyclopropyl-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45495603

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide (CID 110392032) is N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is COc1ccc(-c2nnc(C(=O)NC3CC3)o2)cc1.
What is the InChIKey of N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is UORHRUYVHXDOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-10-6-2-8(3-7-10)12-15-16-13(19-12)11(17)14-9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,14,17).
What are the key properties of N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide?
N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).