1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole

C10H11NO — CID 57209841

IUPAC1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole
SMILESc1ccc2c(c1)CC1OCCN21
InChIInChI=1S/C10H11NO/c1-2-4-9-8(3-1)7-10-11(9)5-6-12-10/h1-4,10H,5-7H2
InChIKeyUGATXKTZIIDDJO-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.41
Rot. Bonds

About 1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole

1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole (PubChem CID 57209841) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole.

Molecular Properties

Compound Name1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole
PubChem CID57209841
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole
SMILESc1ccc2c(c1)CC1OCCN21
InChIInChI=1S/C10H11NO/c1-2-4-9-8(3-1)7-10-11(9)5-6-12-10/h1-4,10H,5-7H2
InChIKeyUGATXKTZIIDDJO-UHFFFAOYSA-N
XLogP1.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole?
The IUPAC name of 1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole (CID 57209841) is 1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole.
What is the SMILES notation for 1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole?
The canonical SMILES for 1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole is c1ccc2c(c1)CC1OCCN21.
What is the InChIKey of 1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole?
The InChIKey is UGATXKTZIIDDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-4-9-8(3-1)7-10-11(9)5-6-12-10/h1-4,10H,5-7H2.
What are the key properties of 1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole?
1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole has a molecular weight of 161.20 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3a,4-tetrahydro-[1,3]oxazolo[3,2-a]indole is sourced from PubChem (CID 57209841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).