4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

C7H10N2O — CID 3446560

IUPAC4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESNc1onc2c1CCCC2
InChIInChI=1S/C7H10N2O/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4,8H2
InChIKeyCRGVRAUXLNRYKJ-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.14
Rot. Bonds

About 4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (PubChem CID 3446560) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
PubChem CID3446560
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESNc1onc2c1CCCC2
InChIInChI=1S/C7H10N2O/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4,8H2
InChIKeyCRGVRAUXLNRYKJ-UHFFFAOYSA-N
XLogP1.14
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The IUPAC name of 4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (CID 3446560) is 4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.
What is the SMILES notation for 4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The canonical SMILES for 4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is Nc1onc2c1CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The InChIKey is CRGVRAUXLNRYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4,8H2.
What are the key properties of 4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine has a molecular weight of 138.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is sourced from PubChem (CID 3446560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).