ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate

C19H25N3O3 — CID 95352366

IUPACethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate
SMILESCCOC(=O)[C@]1(NCc2nc(CC(C)C)no2)CCc2ccccc21
InChIInChI=1S/C19H25N3O3/c1-4-24-18(23)19(10-9-14-7-5-6-8-15(14)19)20-12-17-21-16(22-25-17)11-13(2)3/h5-8,13,20H,4,9-12H2,1-3H3/t19-/m0/s1
InChIKeyBPLFBZPXXPGFQG-IBGZPJMESA-N
MW343.43 g/mol
LogP2.76
Rot. Bonds7

About ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate

ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate (PubChem CID 95352366) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate
PubChem CID95352366
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nameethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate
SMILESCCOC(=O)[C@]1(NCc2nc(CC(C)C)no2)CCc2ccccc21
InChIInChI=1S/C19H25N3O3/c1-4-24-18(23)19(10-9-14-7-5-6-8-15(14)19)20-12-17-21-16(22-25-17)11-13(2)3/h5-8,13,20H,4,9-12H2,1-3H3/t19-/m0/s1
InChIKeyBPLFBZPXXPGFQG-IBGZPJMESA-N
XLogP2.76
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate with MolForge

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Related Compounds

ethyl 5-(2-methylpropylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylate
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ethyl 1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
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ethyl 1-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylate
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ethyl (1S)-1-[(3-nitro-2-pyridinyl)amino]-2,3-dihydroindene-1-carboxylate
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1-(propylamino)-2,3-dihydroindene-1-carboxamide
CID 60796921
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Frequently Asked Questions

What is the IUPAC name of ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate?
The IUPAC name of ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate (CID 95352366) is ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate is CCOC(=O)[C@]1(NCc2nc(CC(C)C)no2)CCc2ccccc21.
What is the InChIKey of ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate?
The InChIKey is BPLFBZPXXPGFQG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-24-18(23)19(10-9-14-7-5-6-8-15(14)19)20-12-17-21-16(22-25-17)11-13(2)3/h5-8,13,20H,4,9-12H2,1-3H3/t19-/m0/s1.
What are the key properties of ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate?
ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 95352366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).