2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol

C8H9NO2 — CID 89152971

IUPAC2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol
SMILESCc1nc2c(o1)C=C(O)CC2
InChIInChI=1S/C8H9NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h4,10H,2-3H2,1H3
InChIKeyNKLRIVCQVOCXMG-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.83
Rot. Bonds

About 2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol

2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol (PubChem CID 89152971) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol
PubChem CID89152971
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol
SMILESCc1nc2c(o1)C=C(O)CC2
InChIInChI=1S/C8H9NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h4,10H,2-3H2,1H3
InChIKeyNKLRIVCQVOCXMG-UHFFFAOYSA-N
XLogP1.83
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol?
The IUPAC name of 2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol (CID 89152971) is 2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol is Cc1nc2c(o1)C=C(O)CC2.
What is the InChIKey of 2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol?
The InChIKey is NKLRIVCQVOCXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h4,10H,2-3H2,1H3.
What are the key properties of 2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol?
2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol has a molecular weight of 151.16 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydro-1,3-benzoxazol-6-ol is sourced from PubChem (CID 89152971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).