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

C19H18N6O2 — CID 92562788

IUPACN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NCc1nnc(-c2nccc3ccccc23)o1
InChIInChI=1S/C19H18N6O2/c1-13-6-10-22-25(13)11-8-16(26)21-12-17-23-24-19(27-17)18-15-5-3-2-4-14(15)7-9-20-18/h2-7,9-10H,8,11-12H2,1H3,(H,21,26)
InChIKeyCENPRNJRZPQKON-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.50
Rot. Bonds6

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

N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 92562788) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID92562788
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NCc1nnc(-c2nccc3ccccc23)o1
InChIInChI=1S/C19H18N6O2/c1-13-6-10-22-25(13)11-8-16(26)21-12-17-23-24-19(27-17)18-15-5-3-2-4-14(15)7-9-20-18/h2-7,9-10H,8,11-12H2,1H3,(H,21,26)
InChIKeyCENPRNJRZPQKON-UHFFFAOYSA-N
XLogP2.50
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide (CID 92562788) is N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1CCC(=O)NCc1nnc(-c2nccc3ccccc23)o1.
What is the InChIKey of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is CENPRNJRZPQKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-13-6-10-22-25(13)11-8-16(26)21-12-17-23-24-19(27-17)18-15-5-3-2-4-14(15)7-9-20-18/h2-7,9-10H,8,11-12H2,1H3,(H,21,26).
What are the key properties of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide?
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 362.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 92562788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).