N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide

C24H27N3O4 — CID 118289490

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(c2ocnc2C)N2CCc3ccccc3C2)c1OC
InChIInChI=1S/C24H27N3O4/c1-16-22(31-15-26-16)20(27-12-11-17-7-4-5-8-18(17)14-27)13-25-24(28)19-9-6-10-21(29-2)23(19)30-3/h4-10,15,20H,11-14H2,1-3H3,(H,25,28)
InChIKeyALOWRVLQEXTVKX-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.53
Rot. Bonds7

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide (PubChem CID 118289490) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide
PubChem CID118289490
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(c2ocnc2C)N2CCc3ccccc3C2)c1OC
InChIInChI=1S/C24H27N3O4/c1-16-22(31-15-26-16)20(27-12-11-17-7-4-5-8-18(17)14-27)13-25-24(28)19-9-6-10-21(29-2)23(19)30-3/h4-10,15,20H,11-14H2,1-3H3,(H,25,28)
InChIKeyALOWRVLQEXTVKX-UHFFFAOYSA-N
XLogP3.53
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide (CID 118289490) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC(c2ocnc2C)N2CCc3ccccc3C2)c1OC.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide?
The InChIKey is ALOWRVLQEXTVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-16-22(31-15-26-16)20(27-12-11-17-7-4-5-8-18(17)14-27)13-25-24(28)19-9-6-10-21(29-2)23(19)30-3/h4-10,15,20H,11-14H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide has a molecular weight of 421.50 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methyl-1,3-oxazol-5-yl)ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 118289490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).