N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide

C15H18N4O2 — CID 115571323

IUPACN-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1nnc(-c2ccccc2)o1)C1CC1
InChIInChI=1S/C15H18N4O2/c20-14(11-6-7-11)17-9-8-16-10-13-18-19-15(21-13)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2,(H,17,20)
InChIKeyVKTIHGZKGLJAAY-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.35
Rot. Bonds7

About N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 115571323) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID115571323
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCc1nnc(-c2ccccc2)o1)C1CC1
InChIInChI=1S/C15H18N4O2/c20-14(11-6-7-11)17-9-8-16-10-13-18-19-15(21-13)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2,(H,17,20)
InChIKeyVKTIHGZKGLJAAY-UHFFFAOYSA-N
XLogP1.35
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 110320787
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376
2-[(3R)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 126446607
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 60695092
N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]oxolane-2-carboxamide
CID 110320373
2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110606908
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
2,2-dimethyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]propanamide
CID 106276224
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110319587
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110660221
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide
CID 92576796

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide (CID 115571323) is N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide is O=C(NCCNCc1nnc(-c2ccccc2)o1)C1CC1.
What is the InChIKey of N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is VKTIHGZKGLJAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14(11-6-7-11)17-9-8-16-10-13-18-19-15(21-13)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2,(H,17,20).
What are the key properties of N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115571323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).