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

C19H20N4O3 — CID 136546980

IUPAC(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
SMILESCOc1cccc2c1CN(C(=O)c1nc(-c3cnn(C)c3)oc1C)CC2
InChIInChI=1S/C19H20N4O3/c1-12-17(21-18(26-12)14-9-20-22(2)10-14)19(24)23-8-7-13-5-4-6-16(25-3)15(13)11-23/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyUDXTXMCLPCDJFV-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.59
Rot. Bonds3

About (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone

(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone (PubChem CID 136546980) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
PubChem CID136546980
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
SMILESCOc1cccc2c1CN(C(=O)c1nc(-c3cnn(C)c3)oc1C)CC2
InChIInChI=1S/C19H20N4O3/c1-12-17(21-18(26-12)14-9-20-22(2)10-14)19(24)23-8-7-13-5-4-6-16(25-3)15(13)11-23/h4-6,9-10H,7-8,11H2,1-3H3
InChIKeyUDXTXMCLPCDJFV-UHFFFAOYSA-N
XLogP2.59
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 138992941
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27659602
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone
CID 126782330
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124614105
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 120818131
[2-(5-chlorothiophen-2-yl)morpholin-4-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 139011742
[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470340
(3-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
CID 166270150
(3aS,6aR)-2-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682073
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyrrolidin-2-ylmethanone
CID 110481278
2-[3-[[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carbonyl]amino]phenyl]acetic acid
CID 167932429
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 47047815

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone (CID 136546980) is (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone is COc1cccc2c1CN(C(=O)c1nc(-c3cnn(C)c3)oc1C)CC2.
What is the InChIKey of (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The InChIKey is UDXTXMCLPCDJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-17(21-18(26-12)14-9-20-22(2)10-14)19(24)23-8-7-13-5-4-6-16(25-3)15(13)11-23/h4-6,9-10H,7-8,11H2,1-3H3.
What are the key properties of (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
(8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone has a molecular weight of 352.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 136546980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).