N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline

C19H19N3O4 — CID 142323127

IUPACN-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline
SMILESCC(=O)c1cnc(NC=O)o1.c1cnc2c(OC3CCC3)cccc2c1
InChIInChI=1S/C13H13NO.C6H6N2O3/c1-4-10-5-3-9-14-13(10)12(8-1)15-11-6-2-7-11;1-4(10)5-2-7-6(11-5)8-3-9/h1,3-5,8-9,11H,2,6-7H2;2-3H,1H3,(H,7,8,9)
InChIKeyCLBPPSFPCILHAV-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.61
Rot. Bonds5

About N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline

N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline (PubChem CID 142323127) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline.

Molecular Properties

Compound NameN-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline
PubChem CID142323127
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline
SMILESCC(=O)c1cnc(NC=O)o1.c1cnc2c(OC3CCC3)cccc2c1
InChIInChI=1S/C13H13NO.C6H6N2O3/c1-4-10-5-3-9-14-13(10)12(8-1)15-11-6-2-7-11;1-4(10)5-2-7-6(11-5)8-3-9/h1,3-5,8-9,11H,2,6-7H2;2-3H,1H3,(H,7,8,9)
InChIKeyCLBPPSFPCILHAV-UHFFFAOYSA-N
XLogP3.61
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625324
8-[(3R)-piperidin-3-yl]oxyquinoline
CID 26191562
furan-3-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625340
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
8-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinoline
CID 141148841
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
N-[(E)-but-1-enyl]-5-cyclopropyl-1H-1,2,4-triazol-3-amine;8-cyclobutyloxyquinoline
CID 142322969
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
(1-amino-3-quinolin-8-yloxycyclohexyl)methanol
CID 79640420
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
cyclobutyl 8-cyclobutyloxyquinoline-5-carboxylate
CID 138585007
4-cyclobutyloxy-1H-benzimidazole;N-(1H-imidazol-2-yl)formamide
CID 142323097

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline?
The IUPAC name of N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline (CID 142323127) is N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline.
What is the SMILES notation for N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline?
The canonical SMILES for N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline is CC(=O)c1cnc(NC=O)o1.c1cnc2c(OC3CCC3)cccc2c1.
What is the InChIKey of N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline?
The InChIKey is CLBPPSFPCILHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.C6H6N2O3/c1-4-10-5-3-9-14-13(10)12(8-1)15-11-6-2-7-11;1-4(10)5-2-7-6(11-5)8-3-9/h1,3-5,8-9,11H,2,6-7H2;2-3H,1H3,(H,7,8,9).
What are the key properties of N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline?
N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline has a molecular weight of 353.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1,3-oxazol-2-yl)formamide;8-cyclobutyloxyquinoline is sourced from PubChem (CID 142323127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).