5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one

C17H17ClN2O2 — CID 23790368

IUPAC5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one
SMILESCC1=Nc2ccc(Cl)cc2C12C=C1N(CC2)C(=O)OC1(C)C
InChIInChI=1S/C17H17ClN2O2/c1-10-17(12-8-11(18)4-5-13(12)19-10)6-7-20-14(9-17)16(2,3)22-15(20)21/h4-5,8-9H,6-7H2,1-3H3
InChIKeyURVGKKJZRHTCKQ-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.20
Rot. Bonds

About 5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one

5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one (PubChem CID 23790368) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one.

Molecular Properties

Compound Name5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one
PubChem CID23790368
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one
SMILESCC1=Nc2ccc(Cl)cc2C12C=C1N(CC2)C(=O)OC1(C)C
InChIInChI=1S/C17H17ClN2O2/c1-10-17(12-8-11(18)4-5-13(12)19-10)6-7-20-14(9-17)16(2,3)22-15(20)21/h4-5,8-9H,6-7H2,1-3H3
InChIKeyURVGKKJZRHTCKQ-UHFFFAOYSA-N
XLogP4.20
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one?
The IUPAC name of 5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one (CID 23790368) is 5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one.
What is the SMILES notation for 5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one?
The canonical SMILES for 5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one is CC1=Nc2ccc(Cl)cc2C12C=C1N(CC2)C(=O)OC1(C)C.
What is the InChIKey of 5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one?
The InChIKey is URVGKKJZRHTCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-10-17(12-8-11(18)4-5-13(12)19-10)6-7-20-14(9-17)16(2,3)22-15(20)21/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one?
5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one has a molecular weight of 316.79 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-chloro-1,1,2'-trimethylspiro[5,6-dihydro-[1,3]oxazolo[3,4-a]pyridine-7,3'-indole]-3-one is sourced from PubChem (CID 23790368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).