[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone

C19H20N4O2 — CID 124612411

IUPAC[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
SMILESCc1cnn(Cc2cc(C(=O)N3CCc4ccccc4[C@H]3C)no2)c1
InChIInChI=1S/C19H20N4O2/c1-13-10-20-22(11-13)12-16-9-18(21-25-16)19(24)23-8-7-15-5-3-4-6-17(15)14(23)2/h3-6,9-11,14H,7-8,12H2,1-2H3/t14-/m1/s1
InChIKeyBXGSSCZEGFBVIU-CQSZACIVSA-N
MW336.40 g/mol
LogP2.99
Rot. Bonds3

About [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone

[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 124612411) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
PubChem CID124612411
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
SMILESCc1cnn(Cc2cc(C(=O)N3CCc4ccccc4[C@H]3C)no2)c1
InChIInChI=1S/C19H20N4O2/c1-13-10-20-22(11-13)12-16-9-18(21-25-16)19(24)23-8-7-15-5-3-4-6-17(15)14(23)2/h3-6,9-11,14H,7-8,12H2,1-2H3/t14-/m1/s1
InChIKeyBXGSSCZEGFBVIU-CQSZACIVSA-N
XLogP2.99
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone (CID 124612411) is [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone is Cc1cnn(Cc2cc(C(=O)N3CCc4ccccc4[C@H]3C)no2)c1.
What is the InChIKey of [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is BXGSSCZEGFBVIU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-10-20-22(11-13)12-16-9-18(21-25-16)19(24)23-8-7-15-5-3-4-6-17(15)14(23)2/h3-6,9-11,14H,7-8,12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone?
[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 124612411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).