5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide

C20H24N6O2 — CID 26408757

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCCn1cnnc1CNC(=O)c1cc(CN2CCc3ccccc3C2)on1
InChIInChI=1S/C20H24N6O2/c1-2-8-26-14-22-23-19(26)11-21-20(27)18-10-17(28-24-18)13-25-9-7-15-5-3-4-6-16(15)12-25/h3-6,10,14H,2,7-9,11-13H2,1H3,(H,21,27)
InChIKeyNGFKQPBXPRDWRJ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.16
Rot. Bonds7

About 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide

5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 26408757) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID26408757
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCCn1cnnc1CNC(=O)c1cc(CN2CCc3ccccc3C2)on1
InChIInChI=1S/C20H24N6O2/c1-2-8-26-14-22-23-19(26)11-21-20(27)18-10-17(28-24-18)13-25-9-7-15-5-3-4-6-16(15)12-25/h3-6,10,14H,2,7-9,11-13H2,1H3,(H,21,27)
InChIKeyNGFKQPBXPRDWRJ-UHFFFAOYSA-N
XLogP2.16
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 26408757) is 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is CCCn1cnnc1CNC(=O)c1cc(CN2CCc3ccccc3C2)on1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is NGFKQPBXPRDWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-2-8-26-14-22-23-19(26)11-21-20(27)18-10-17(28-24-18)13-25-9-7-15-5-3-4-6-16(15)12-25/h3-6,10,14H,2,7-9,11-13H2,1H3,(H,21,27).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 26408757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).