2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol

C15H14N2O2 — CID 156778570

IUPAC2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol
SMILESCN(Cc1ccccc1)c1nc2ccc(O)cc2o1
InChIInChI=1S/C15H14N2O2/c1-17(10-11-5-3-2-4-6-11)15-16-13-8-7-12(18)9-14(13)19-15/h2-9,18H,10H2,1H3
InChIKeyARRCLRAINBVQLO-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.17
Rot. Bonds3

About 2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol

2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol (PubChem CID 156778570) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol
PubChem CID156778570
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol
SMILESCN(Cc1ccccc1)c1nc2ccc(O)cc2o1
InChIInChI=1S/C15H14N2O2/c1-17(10-11-5-3-2-4-6-11)15-16-13-8-7-12(18)9-14(13)19-15/h2-9,18H,10H2,1H3
InChIKeyARRCLRAINBVQLO-UHFFFAOYSA-N
XLogP3.17
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol?
The IUPAC name of 2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol (CID 156778570) is 2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol is CN(Cc1ccccc1)c1nc2ccc(O)cc2o1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol?
The InChIKey is ARRCLRAINBVQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-17(10-11-5-3-2-4-6-11)15-16-13-8-7-12(18)9-14(13)19-15/h2-9,18H,10H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol?
2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol has a molecular weight of 254.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1,3-benzoxazol-6-ol is sourced from PubChem (CID 156778570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).