3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine

C8H10N2O — CID 112711878

IUPAC3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine
SMILESNCC1=CC=CC2ON=CC12
InChIInChI=1S/C8H10N2O/c9-4-6-2-1-3-8-7(6)5-10-11-8/h1-3,5,7-8H,4,9H2
InChIKeyXOFKJPSCTDYAGC-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.44
Rot. Bonds1

About 3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine

3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine (PubChem CID 112711878) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine.

Molecular Properties

Compound Name3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine
PubChem CID112711878
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine
SMILESNCC1=CC=CC2ON=CC12
InChIInChI=1S/C8H10N2O/c9-4-6-2-1-3-8-7(6)5-10-11-8/h1-3,5,7-8H,4,9H2
InChIKeyXOFKJPSCTDYAGC-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

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Related Compounds

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-5-ylmethanamine
CID 112711877
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
2-(3a,7a-Dihydro-1,2-benzoxazol-4-yl)ethanamine
CID 112711978
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

Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine?
The IUPAC name of 3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine (CID 112711878) is 3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine.
What is the SMILES notation for 3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine?
The canonical SMILES for 3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine is NCC1=CC=CC2ON=CC12.
What is the InChIKey of 3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine?
The InChIKey is XOFKJPSCTDYAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c9-4-6-2-1-3-8-7(6)5-10-11-8/h1-3,5,7-8H,4,9H2.
What are the key properties of 3a,7a-dihydro-1,2-benzoxazol-4-ylmethanamine?
3a,7a-dihydro-1,2-benzoxazol-4-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-4-ylmethanamine is sourced from PubChem (CID 112711878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).