3a,7a-dihydro-1,2-benzoxazol-7-amine

C7H8N2O — CID 112711836

IUPAC3a,7a-dihydro-1,2-benzoxazol-7-amine
SMILESNC1=CC=CC2C=NOC12
InChIInChI=1S/C7H8N2O/c8-6-3-1-2-5-4-9-10-7(5)6/h1-5,7H,8H2
InChIKeyTUDIIMRRMVIMDB-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.40
Rot. Bonds

About 3a,7a-dihydro-1,2-benzoxazol-7-amine

3a,7a-dihydro-1,2-benzoxazol-7-amine (PubChem CID 112711836) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 3a,7a-dihydro-1,2-benzoxazol-7-amine.

Molecular Properties

Compound Name3a,7a-dihydro-1,2-benzoxazol-7-amine
PubChem CID112711836
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name3a,7a-dihydro-1,2-benzoxazol-7-amine
SMILESNC1=CC=CC2C=NOC12
InChIInChI=1S/C7H8N2O/c8-6-3-1-2-5-4-9-10-7(5)6/h1-5,7H,8H2
InChIKeyTUDIIMRRMVIMDB-UHFFFAOYSA-N
XLogP0.40
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3a,7a-dihydro-1,2-benzoxazol-7-amine 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 3a,7a-dihydro-1,2-benzoxazol-7-amine?
The IUPAC name of 3a,7a-dihydro-1,2-benzoxazol-7-amine (CID 112711836) is 3a,7a-dihydro-1,2-benzoxazol-7-amine.
What is the SMILES notation for 3a,7a-dihydro-1,2-benzoxazol-7-amine?
The canonical SMILES for 3a,7a-dihydro-1,2-benzoxazol-7-amine is NC1=CC=CC2C=NOC12.
What is the InChIKey of 3a,7a-dihydro-1,2-benzoxazol-7-amine?
The InChIKey is TUDIIMRRMVIMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c8-6-3-1-2-5-4-9-10-7(5)6/h1-5,7H,8H2.
What are the key properties of 3a,7a-dihydro-1,2-benzoxazol-7-amine?
3a,7a-dihydro-1,2-benzoxazol-7-amine has a molecular weight of 136.15 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1,2-benzoxazol-7-amine is sourced from PubChem (CID 112711836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).