5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H19N3O2 — CID 106370683

IUPAC5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1nc(CNC2CCCc3[nH]c(=O)ccc32)oc1C
InChIInChI=1S/C15H19N3O2/c1-9-10(2)20-15(17-9)8-16-12-4-3-5-13-11(12)6-7-14(19)18-13/h6-7,12,16H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyODJNGZOUMLDIKS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.15
Rot. Bonds3

About 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 106370683) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID106370683
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCc1nc(CNC2CCCc3[nH]c(=O)ccc32)oc1C
InChIInChI=1S/C15H19N3O2/c1-9-10(2)20-15(17-9)8-16-12-4-3-5-13-11(12)6-7-14(19)18-13/h6-7,12,16H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyODJNGZOUMLDIKS-UHFFFAOYSA-N
XLogP2.15
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(Cyclopenten-1-yl)ethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 84589548
3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 139907422
N-heptan-4-yl-2-methylcyclohepta[d][1,3]oxazole-7-carboxamide
CID 176534952
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47345013
1-cyclohex-3-en-1-yl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 61949207
2-(cyclohexen-1-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 62326349
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohex-3-en-1-amine
CID 65700696
1-Cyclohex-2-en-1-yl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 71920826
2-cyclohexylidene-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 72018763
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 75395394
1-[(1R)-cyclohex-2-en-1-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 97066908
1-[(1S)-cyclohex-2-en-1-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 97066909

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 106370683) is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is Cc1nc(CNC2CCCc3[nH]c(=O)ccc32)oc1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is ODJNGZOUMLDIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-10(2)20-15(17-9)8-16-12-4-3-5-13-11(12)6-7-14(19)18-13/h6-7,12,16H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 273.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 106370683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).