N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide

C15H15N3O4 — CID 90499157

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESO=C(NCC1(O)CCc2ccccc21)C(=O)Nc1ccon1
InChIInChI=1S/C15H15N3O4/c19-13(14(20)17-12-6-8-22-18-12)16-9-15(21)7-5-10-3-1-2-4-11(10)15/h1-4,6,8,21H,5,7,9H2,(H,16,19)(H,17,18,20)
InChIKeyQGJJJEYPHRATDB-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.56
Rot. Bonds3

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide (PubChem CID 90499157) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
PubChem CID90499157
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESO=C(NCC1(O)CCc2ccccc21)C(=O)Nc1ccon1
InChIInChI=1S/C15H15N3O4/c19-13(14(20)17-12-6-8-22-18-12)16-9-15(21)7-5-10-3-1-2-4-11(10)15/h1-4,6,8,21H,5,7,9H2,(H,16,19)(H,17,18,20)
InChIKeyQGJJJEYPHRATDB-UHFFFAOYSA-N
XLogP0.56
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 86267216
N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
CID 71782201
N'-(3-fluorophenyl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]oxamide
CID 111110774
1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499229
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(4-methylphenyl)urea
CID 90499217
1-(1,3-benzodioxol-5-yl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 71782217
N'-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 95983192
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 109481310
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71782220
1-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)urea
CID 110013076
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]thiophene-2-carboxamide
CID 71782124

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide (CID 90499157) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide is O=C(NCC1(O)CCc2ccccc21)C(=O)Nc1ccon1.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide?
The InChIKey is QGJJJEYPHRATDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-13(14(20)17-12-6-8-22-18-12)16-9-15(21)7-5-10-3-1-2-4-11(10)15/h1-4,6,8,21H,5,7,9H2,(H,16,19)(H,17,18,20).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide has a molecular weight of 301.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-N'-(1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 90499157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).