(3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole]

C11H12N2O — CID 67519049

IUPAC(3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole]
SMILESCC1=NO[C@]2(CNc3ccccc32)C1
InChIInChI=1S/C11H12N2O/c1-8-6-11(14-13-8)7-12-10-5-3-2-4-9(10)11/h2-5,12H,6-7H2,1H3/t11-/m0/s1
InChIKeyOHXAHDWBMDHJAC-NSHDSACASA-N
MW188.23 g/mol
LogP2.10
Rot. Bonds

About (3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole]

(3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole] (PubChem CID 67519049) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole].

Molecular Properties

Compound Name(3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole]
PubChem CID67519049
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole]
SMILESCC1=NO[C@]2(CNc3ccccc32)C1
InChIInChI=1S/C11H12N2O/c1-8-6-11(14-13-8)7-12-10-5-3-2-4-9(10)11/h2-5,12H,6-7H2,1H3/t11-/m0/s1
InChIKeyOHXAHDWBMDHJAC-NSHDSACASA-N
XLogP2.10
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole]?
The IUPAC name of (3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole] (CID 67519049) is (3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole].
What is the SMILES notation for (3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole]?
The canonical SMILES for (3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole] is CC1=NO[C@]2(CNc3ccccc32)C1.
What is the InChIKey of (3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole]?
The InChIKey is OHXAHDWBMDHJAC-NSHDSACASA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-6-11(14-13-8)7-12-10-5-3-2-4-9(10)11/h2-5,12H,6-7H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole]?
(3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole] has a molecular weight of 188.23 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-methylspiro[1,2-dihydroindole-3,5'-4H-1,2-oxazole] is sourced from PubChem (CID 67519049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).