3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one

C10H9NO2 — CID 69089702

IUPAC3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one
SMILESO=C1OCC2Cc3ccccc3N12
InChIInChI=1S/C10H9NO2/c12-10-11-8(6-13-10)5-7-3-1-2-4-9(7)11/h1-4,8H,5-6H2
InChIKeyUYWJEDRSVUARIX-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.57
Rot. Bonds

About 3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one

3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one (PubChem CID 69089702) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one.

Molecular Properties

Compound Name3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one
PubChem CID69089702
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one
SMILESO=C1OCC2Cc3ccccc3N12
InChIInChI=1S/C10H9NO2/c12-10-11-8(6-13-10)5-7-3-1-2-4-9(7)11/h1-4,8H,5-6H2
InChIKeyUYWJEDRSVUARIX-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(((1S,9aS)-3-oxo-1,3,9,9a-tetrahydrooxazolo[3,4-a]indol-1-yl)methyl)acetamide
CID 10776804
Ethyl 2-methyl-1-indolinecarboxylate
CID 2970426
N-[[(3S,3aR)-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide
CID 44274145
5-Hexyl-3-o-tolyloxazolidin-2-one
CID 46887159
10,10a-dihydro-1H-[1,4]oxazino[4,3-a]indol-4-one
CID 172442043
2,3-Dihydro-indole-1-carboxylic acid ethyl ester
CID 741650
(6S)-9-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(15),11,13-trien-3-one
CID 75529020
3,3a,4,5-Tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
CID 11263952
Indolinyloxazolidinone
CID 19753239
4-Benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21940665
(4R)-3,4-diphenyl-1,3-oxazolidin-2-one
CID 29930916
Oxazolidino-[3,2-a]indoline
CID 57209841

Frequently Asked Questions

What is the IUPAC name of 3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one?
The IUPAC name of 3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one (CID 69089702) is 3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one.
What is the SMILES notation for 3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one?
The canonical SMILES for 3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one is O=C1OCC2Cc3ccccc3N12.
What is the InChIKey of 3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one?
The InChIKey is UYWJEDRSVUARIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-11-8(6-13-10)5-7-3-1-2-4-9(7)11/h1-4,8H,5-6H2.
What are the key properties of 3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one?
3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-1-one is sourced from PubChem (CID 69089702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).