1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine

C17H23N3O — CID 79230833

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
SMILESCc1noc(C)c1C(C)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C17H23N3O/c1-11(17-12(2)19-21-13(17)3)18-10-14-5-6-16-15(9-14)7-8-20(16)4/h5-6,9,11,18H,7-8,10H2,1-4H3
InChIKeyZLHTYYNMWAIDLR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.13
Rot. Bonds4

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine (PubChem CID 79230833) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
PubChem CID79230833
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
SMILESCc1noc(C)c1C(C)NCc1ccc2c(c1)CCN2C
InChIInChI=1S/C17H23N3O/c1-11(17-12(2)19-21-13(17)3)18-10-14-5-6-16-15(9-14)7-8-20(16)4/h5-6,9,11,18H,7-8,10H2,1-4H3
InChIKeyZLHTYYNMWAIDLR-UHFFFAOYSA-N
XLogP3.13
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-Dimethyl-isoxazol-4-ylmethyl)-2,3-dioxo-2,3-dihydro-1H-indole-5-carbonitrile
CID 44398160
2,3-Dihydroindol-1-yl-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 1246695
4-methyl-N-[2-(3-methyl-5-isoxazolyl)-1-phenylethyl]aniline
CID 11842385
N-[2-[[(3-ethyl-1,2-oxazol-5-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 71919244
N-[2-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 84586587
3,5-dimethyl-N-[4-[(1S)-3-[(2S)-2-methylpyrrolidin-1-yl]cyclopentyl]phenyl]-1,2-oxazole-4-carboxamide
CID 54598302
3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
CID 86281108
2-(Dimethylamino)-N-(5-(3,5-dimethylisoxazol-4-yl)-2-oxo-3-phenylindolin-3-yl)acetamide
CID 86281903
3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one
CID 86282037
3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(propan-2-ylamino)-1H-indol-2-one
CID 86282040
3-Isoxazolemethanamine, N-(2,6-dimethylphenyl)-5-methyl-
CID 3058218
3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one
CID 86281104

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine (CID 79230833) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine is Cc1noc(C)c1C(C)NCc1ccc2c(c1)CCN2C.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?
The InChIKey is ZLHTYYNMWAIDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(17-12(2)19-21-13(17)3)18-10-14-5-6-16-15(9-14)7-8-20(16)4/h5-6,9,11,18H,7-8,10H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine is sourced from PubChem (CID 79230833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).