(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol

C8H7ClN2O2 — CID 91636106

IUPAC(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol
SMILESNc1cc2oc(CO)nc2cc1Cl
InChIInChI=1S/C8H7ClN2O2/c9-4-1-6-7(2-5(4)10)13-8(3-12)11-6/h1-2,12H,3,10H2
InChIKeyRAMXPXYKSULFFQ-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.56
Rot. Bonds1

About (6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol

(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol (PubChem CID 91636106) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is (6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol.

Molecular Properties

Compound Name(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol
PubChem CID91636106
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol
SMILESNc1cc2oc(CO)nc2cc1Cl
InChIInChI=1S/C8H7ClN2O2/c9-4-1-6-7(2-5(4)10)13-8(3-12)11-6/h1-2,12H,3,10H2
InChIKeyRAMXPXYKSULFFQ-UHFFFAOYSA-N
XLogP1.56
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol?
The IUPAC name of (6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol (CID 91636106) is (6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol.
What is the SMILES notation for (6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol?
The canonical SMILES for (6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol is Nc1cc2oc(CO)nc2cc1Cl.
What is the InChIKey of (6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol?
The InChIKey is RAMXPXYKSULFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-4-1-6-7(2-5(4)10)13-8(3-12)11-6/h1-2,12H,3,10H2.
What are the key properties of (6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol?
(6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol has a molecular weight of 198.61 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-chloro-1,3-benzoxazol-2-yl)methanol is sourced from PubChem (CID 91636106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).