N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide

C19H23N3O3 — CID 71888766

IUPACN'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
SMILESCc1noc(C)c1CN(C)C(=O)C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H23N3O3/c1-12-16(13(2)25-21-12)11-22(3)19(24)18(23)20-17-10-6-8-14-7-4-5-9-15(14)17/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,20,23)
InChIKeyUIAQCBILUVVECO-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.77
Rot. Bonds3

About N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide

N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide (PubChem CID 71888766) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide.

Molecular Properties

Compound NameN'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
PubChem CID71888766
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide
SMILESCc1noc(C)c1CN(C)C(=O)C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H23N3O3/c1-12-16(13(2)25-21-12)11-22(3)19(24)18(23)20-17-10-6-8-14-7-4-5-9-15(14)17/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,20,23)
InChIKeyUIAQCBILUVVECO-UHFFFAOYSA-N
XLogP2.77
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide?
The IUPAC name of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide (CID 71888766) is N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide.
What is the SMILES notation for N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide?
The canonical SMILES for N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide is Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide?
The InChIKey is UIAQCBILUVVECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-16(13(2)25-21-12)11-22(3)19(24)18(23)20-17-10-6-8-14-7-4-5-9-15(14)17/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,20,23).
What are the key properties of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide?
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide has a molecular weight of 341.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)oxamide is sourced from PubChem (CID 71888766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).