3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine

C8H10N2O — CID 112711877

IUPAC3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine
SMILESNCC1=CC2C=NOC2C=C1
InChIInChI=1S/C8H10N2O/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5,7-8H,4,9H2
InChIKeyHEBRBXPQWLINAM-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.44
Rot. Bonds1

About 3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine

3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine (PubChem CID 112711877) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine.

Molecular Properties

Compound Name3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine
PubChem CID112711877
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine
SMILESNCC1=CC2C=NOC2C=C1
InChIInChI=1S/C8H10N2O/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5,7-8H,4,9H2
InChIKeyHEBRBXPQWLINAM-UHFFFAOYSA-N
XLogP0.44
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

3a,7a-Dihydro-1,2-benzoxazole
CID 17860157
3a,7a-Dihydro-1,2-benzoxazol-6-amine
CID 112711837
3a,7a-Dihydro-1,2-benzoxazol-5-amine
CID 112711838
3a,7a-Dihydro-1,2-benzoxazol-7-ylmethanamine
CID 112711875
3a,7a-Dihydro-1,2-benzoxazol-6-ylmethanamine
CID 112711876
3a,7a-Dihydro-1,2-benzoxazol-4-ylmethanamine
CID 112711878
2-(3a,7a-Dihydro-1,2-benzoxazol-7-yl)ethanamine
CID 112711975
2-(3a,7a-Dihydro-1,2-benzoxazol-6-yl)ethanamine
CID 112711976
2-(3a,7a-Dihydro-1,2-benzoxazol-5-yl)ethanamine
CID 112711977
1-(3a,7a-Dihydro-1,2-benzoxazol-6-yl)propan-2-amine
CID 112712227
1-(3a,7a-Dihydro-1,2-benzoxazol-5-yl)propan-2-amine
CID 112712228
1-(3a,7a-Dihydro-1,2-benzoxazol-6-yl)-2-aminoethanol
CID 112712303

Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine?
The IUPAC name of 3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine (CID 112711877) is 3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine.
What is the SMILES notation for 3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine?
The canonical SMILES for 3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine is NCC1=CC2C=NOC2C=C1.
What is the InChIKey of 3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine?
The InChIKey is HEBRBXPQWLINAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5,7-8H,4,9H2.
What are the key properties of 3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine?
3a,7a-dihydro-1,2-benzoxazol-5-ylmethanamine has a molecular weight of 150.18 g/mol, XLogP of 0.44, 1 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-5-ylmethanamine is sourced from PubChem (CID 112711877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).