1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine

C16H15N3O2 — CID 114456583

IUPAC1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(Cc1cc(-c3ccco3)on1)CC2
InChIInChI=1S/C16H15N3O2/c17-13-4-1-3-11-6-7-19(16(11)13)10-12-9-15(21-18-12)14-5-2-8-20-14/h1-5,8-9H,6-7,10,17H2
InChIKeyZQFRUHIHQLHHFG-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.08
Rot. Bonds3

About 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine (PubChem CID 114456583) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine
PubChem CID114456583
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine
SMILESNc1cccc2c1N(Cc1cc(-c3ccco3)on1)CC2
InChIInChI=1S/C16H15N3O2/c17-13-4-1-3-11-6-7-19(16(11)13)10-12-9-15(21-18-12)14-5-2-8-20-14/h1-5,8-9H,6-7,10,17H2
InChIKeyZQFRUHIHQLHHFG-UHFFFAOYSA-N
XLogP3.08
TPSA68.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119933963
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dihydroindol-7-amine
CID 114456501
1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydroindol-7-amine
CID 114456594
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80703636
2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
CID 63310200
3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
CID 8617759
(3R)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94343776
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
1-[(2,6-dichloro-3-pyridinyl)methyl]-2,3-dihydroindol-7-amine
CID 106994975
(3S)-3'-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9318987

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine?
The IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine (CID 114456583) is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine.
What is the SMILES notation for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine?
The canonical SMILES for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine is Nc1cccc2c1N(Cc1cc(-c3ccco3)on1)CC2.
What is the InChIKey of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine?
The InChIKey is ZQFRUHIHQLHHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-13-4-1-3-11-6-7-19(16(11)13)10-12-9-15(21-18-12)14-5-2-8-20-14/h1-5,8-9H,6-7,10,17H2.
What are the key properties of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine?
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine has a molecular weight of 281.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dihydroindol-7-amine is sourced from PubChem (CID 114456583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).