N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide

C17H19N3O5 — CID 86267216

IUPACN-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESCOc1ccc2c(c1)CCCC2(O)CNC(=O)C(=O)Nc1ccon1
InChIInChI=1S/C17H19N3O5/c1-24-12-4-5-13-11(9-12)3-2-7-17(13,23)10-18-15(21)16(22)19-14-6-8-25-20-14/h4-6,8-9,23H,2-3,7,10H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyLTUAPNKGOYUEEC-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.96
Rot. Bonds4

About N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide

N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide (PubChem CID 86267216) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
PubChem CID86267216
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC NameN-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESCOc1ccc2c(c1)CCCC2(O)CNC(=O)C(=O)Nc1ccon1
InChIInChI=1S/C17H19N3O5/c1-24-12-4-5-13-11(9-12)3-2-7-17(13,23)10-18-15(21)16(22)19-14-6-8-25-20-14/h4-6,8-9,23H,2-3,7,10H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyLTUAPNKGOYUEEC-UHFFFAOYSA-N
XLogP0.96
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 90499157
N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide
CID 100732100
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2,2-dimethylpropanamide
CID 91631098
N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,2-dimethylpropanamide
CID 100730792
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
CID 91631115
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]acetamide
CID 100731268
2-ethoxy-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
CID 91631099
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 86267189
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]thiophene-3-carboxamide
CID 86267187
N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-benzothiophene-2-carboxamide
CID 129416993
N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 100731076
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3,4-dimethoxybenzenesulfonamide
CID 91631137

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide (CID 86267216) is N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide is COc1ccc2c(c1)CCCC2(O)CNC(=O)C(=O)Nc1ccon1.
What is the InChIKey of N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide?
The InChIKey is LTUAPNKGOYUEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-24-12-4-5-13-11(9-12)3-2-7-17(13,23)10-18-15(21)16(22)19-14-6-8-25-20-14/h4-6,8-9,23H,2-3,7,10H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide?
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide has a molecular weight of 345.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 86267216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).