N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide

C16H14N4O2 — CID 92576796

IUPACN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1nnc(-c2nccc3ccccc23)o1)C1CC1
InChIInChI=1S/C16H14N4O2/c21-15(11-5-6-11)18-9-13-19-20-16(22-13)14-12-4-2-1-3-10(12)7-8-17-14/h1-4,7-8,11H,5-6,9H2,(H,18,21)
InChIKeyYVTJTMSMJYTYRX-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.31
Rot. Bonds4

About N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide

N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 92576796) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide
PubChem CID92576796
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1nnc(-c2nccc3ccccc23)o1)C1CC1
InChIInChI=1S/C16H14N4O2/c21-15(11-5-6-11)18-9-13-19-20-16(22-13)14-12-4-2-1-3-10(12)7-8-17-14/h1-4,7-8,11H,5-6,9H2,(H,18,21)
InChIKeyYVTJTMSMJYTYRX-UHFFFAOYSA-N
XLogP2.31
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide (CID 92576796) is N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide is O=C(NCc1nnc(-c2nccc3ccccc23)o1)C1CC1.
What is the InChIKey of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is YVTJTMSMJYTYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15(11-5-6-11)18-9-13-19-20-16(22-13)14-12-4-2-1-3-10(12)7-8-17-14/h1-4,7-8,11H,5-6,9H2,(H,18,21).
What are the key properties of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide?
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 92576796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).