N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide

C17H19N3O2 — CID 72717376

IUPACN-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccccc1Cc1nc(C2CC2)no1)C1CCC1
InChIInChI=1S/C17H19N3O2/c21-17(12-5-3-6-12)18-14-7-2-1-4-13(14)10-15-19-16(20-22-15)11-8-9-11/h1-2,4,7,11-12H,3,5-6,8-10H2,(H,18,21)
InChIKeyLSTRMWJWLUBWHZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.28
Rot. Bonds5

About N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide

N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide (PubChem CID 72717376) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide
PubChem CID72717376
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccccc1Cc1nc(C2CC2)no1)C1CCC1
InChIInChI=1S/C17H19N3O2/c21-17(12-5-3-6-12)18-14-7-2-1-4-13(14)10-15-19-16(20-22-15)11-8-9-11/h1-2,4,7,11-12H,3,5-6,8-10H2,(H,18,21)
InChIKeyLSTRMWJWLUBWHZ-UHFFFAOYSA-N
XLogP3.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide (CID 72717376) is N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide is O=C(Nc1ccccc1Cc1nc(C2CC2)no1)C1CCC1.
What is the InChIKey of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide?
The InChIKey is LSTRMWJWLUBWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(12-5-3-6-12)18-14-7-2-1-4-13(14)10-15-19-16(20-22-15)11-8-9-11/h1-2,4,7,11-12H,3,5-6,8-10H2,(H,18,21).
What are the key properties of N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide?
N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 72717376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).