(6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine

C7H10N2O — CID 92546013

IUPAC(6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine
SMILESN[C@H]1CCc2cnoc2C1
InChIInChI=1S/C7H10N2O/c8-6-2-1-5-4-9-10-7(5)3-6/h4,6H,1-3,8H2/t6-/m0/s1
InChIKeyOHRAOQCRJOFNHL-LURJTMIESA-N
MW138.17 g/mol
LogP0.49
Rot. Bonds

About (6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine

(6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine (PubChem CID 92546013) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name(6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine
PubChem CID92546013
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine
SMILESN[C@H]1CCc2cnoc2C1
InChIInChI=1S/C7H10N2O/c8-6-2-1-5-4-9-10-7(5)3-6/h4,6H,1-3,8H2/t6-/m0/s1
InChIKeyOHRAOQCRJOFNHL-LURJTMIESA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine?
The IUPAC name of (6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine (CID 92546013) is (6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine.
What is the SMILES notation for (6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine?
The canonical SMILES for (6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine is N[C@H]1CCc2cnoc2C1.
What is the InChIKey of (6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine?
The InChIKey is OHRAOQCRJOFNHL-LURJTMIESA-N. The full InChI is InChI=1S/C7H10N2O/c8-6-2-1-5-4-9-10-7(5)3-6/h4,6H,1-3,8H2/t6-/m0/s1.
What are the key properties of (6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine?
(6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine has a molecular weight of 138.17 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine is sourced from PubChem (CID 92546013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).