[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone

C14H18N2O2 — CID 55153900

IUPAC[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone
SMILESO=C([C@@H]1Cc2ccccc2N1)N1CCCOCC1
InChIInChI=1S/C14H18N2O2/c17-14(16-6-3-8-18-9-7-16)13-10-11-4-1-2-5-12(11)15-13/h1-2,4-5,13,15H,3,6-10H2/t13-/m0/s1
InChIKeyUAMUWOKSLLPTLJ-ZDUSSCGKSA-N
MW246.31 g/mol
LogP1.27
Rot. Bonds1

About [(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone

[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone (PubChem CID 55153900) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone
PubChem CID55153900
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone
SMILESO=C([C@@H]1Cc2ccccc2N1)N1CCCOCC1
InChIInChI=1S/C14H18N2O2/c17-14(16-6-3-8-18-9-7-16)13-10-11-4-1-2-5-12(11)15-13/h1-2,4-5,13,15H,3,6-10H2/t13-/m0/s1
InChIKeyUAMUWOKSLLPTLJ-ZDUSSCGKSA-N
XLogP1.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120630609
[(2S)-2,3-dihydro-1H-indol-2-yl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203555
2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
CID 77064458
8-azaspiro[4.5]decan-8-yl(2,3-dihydro-1H-indol-2-yl)methanone
CID 76986786
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
[(2R)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591695
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591703
1-(2,3-dihydro-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 76892627

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of [(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone (CID 55153900) is [(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for [(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for [(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone is O=C([C@@H]1Cc2ccccc2N1)N1CCCOCC1.
What is the InChIKey of [(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone?
The InChIKey is UAMUWOKSLLPTLJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(16-6-3-8-18-9-7-16)13-10-11-4-1-2-5-12(11)15-13/h1-2,4-5,13,15H,3,6-10H2/t13-/m0/s1.
What are the key properties of [(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone?
[(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 55153900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).