2-(propan-2-ylamino)-1,3-benzoxazol-5-ol

C10H12N2O2 — CID 89172308

IUPAC2-(propan-2-ylamino)-1,3-benzoxazol-5-ol
SMILESCC(C)Nc1nc2cc(O)ccc2o1
InChIInChI=1S/C10H12N2O2/c1-6(2)11-10-12-8-5-7(13)3-4-9(8)14-10/h3-6,13H,1-2H3,(H,11,12)
InChIKeyQLVBDYMWHIWKKB-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.35
Rot. Bonds2

About 2-(propan-2-ylamino)-1,3-benzoxazol-5-ol

2-(propan-2-ylamino)-1,3-benzoxazol-5-ol (PubChem CID 89172308) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1,3-benzoxazol-5-ol
PubChem CID89172308
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(propan-2-ylamino)-1,3-benzoxazol-5-ol
SMILESCC(C)Nc1nc2cc(O)ccc2o1
InChIInChI=1S/C10H12N2O2/c1-6(2)11-10-12-8-5-7(13)3-4-9(8)14-10/h3-6,13H,1-2H3,(H,11,12)
InChIKeyQLVBDYMWHIWKKB-UHFFFAOYSA-N
XLogP2.35
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(propan-2-ylamino)-1,3-benzoxazol-5-ol (CID 89172308) is 2-(propan-2-ylamino)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(propan-2-ylamino)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(propan-2-ylamino)-1,3-benzoxazol-5-ol is CC(C)Nc1nc2cc(O)ccc2o1.
What is the InChIKey of 2-(propan-2-ylamino)-1,3-benzoxazol-5-ol?
The InChIKey is QLVBDYMWHIWKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6(2)11-10-12-8-5-7(13)3-4-9(8)14-10/h3-6,13H,1-2H3,(H,11,12).
What are the key properties of 2-(propan-2-ylamino)-1,3-benzoxazol-5-ol?
2-(propan-2-ylamino)-1,3-benzoxazol-5-ol has a molecular weight of 192.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 89172308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).