N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide

C15H17N3O3 — CID 23586812

IUPACN-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide
SMILESCCCCC(NC=O)C(=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H17N3O3/c1-2-3-9-12(16-10-19)13(20)15-18-17-14(21-15)11-7-5-4-6-8-11/h4-8,10,12H,2-3,9H2,1H3,(H,16,19)
InChIKeyBOHOSUGVBLFVMB-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.22
Rot. Bonds8

About N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide

N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide (PubChem CID 23586812) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide
PubChem CID23586812
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide
SMILESCCCCC(NC=O)C(=O)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H17N3O3/c1-2-3-9-12(16-10-19)13(20)15-18-17-14(21-15)11-7-5-4-6-8-11/h4-8,10,12H,2-3,9H2,1H3,(H,16,19)
InChIKeyBOHOSUGVBLFVMB-UHFFFAOYSA-N
XLogP2.22
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-oxo-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide
CID 23586795
1-(5-phenyl-1,3,4-oxadiazol-2-yl)pentan-1-one
CID 148946555
N-ethyl-N,5-diphenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390946
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]pentanamide
CID 110320370
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)-1-oxohexan-2-yl]formamide
CID 23586807
N-ethyl-5-(4-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392696
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone
CID 2461697
4-(pentanoylamino)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45016444
4-(2-chlorophenyl)-N-[3-(2,6-difluorophenyl)-1-oxo-1-[[(2S)-1-oxo-1-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)hexan-2-yl]amino]propan-2-yl]benzamide
CID 10009547
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
N-[(2S)-3-oxo-1-phenylheptan-2-yl]formamide
CID 89181328

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide?
The IUPAC name of N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide (CID 23586812) is N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide.
What is the SMILES notation for N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide?
The canonical SMILES for N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide is CCCCC(NC=O)C(=O)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide?
The InChIKey is BOHOSUGVBLFVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-3-9-12(16-10-19)13(20)15-18-17-14(21-15)11-7-5-4-6-8-11/h4-8,10,12H,2-3,9H2,1H3,(H,16,19).
What are the key properties of N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide?
N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide has a molecular weight of 287.32 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hexan-2-yl]formamide is sourced from PubChem (CID 23586812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).