2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol

C14H13N3O2 — CID 24780657

IUPAC2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol
SMILESCN(C)c1ccc(-c2nc3cc(O)ccc3o2)cn1
InChIInChI=1S/C14H13N3O2/c1-17(2)13-6-3-9(8-15-13)14-16-11-7-10(18)4-5-12(11)19-14/h3-8,18H,1-2H3
InChIKeyRTEOLQIZQATWRQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.66
Rot. Bonds2

About 2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol

2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol (PubChem CID 24780657) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol
PubChem CID24780657
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol
SMILESCN(C)c1ccc(-c2nc3cc(O)ccc3o2)cn1
InChIInChI=1S/C14H13N3O2/c1-17(2)13-6-3-9(8-15-13)14-16-11-7-10(18)4-5-12(11)19-14/h3-8,18H,1-2H3
InChIKeyRTEOLQIZQATWRQ-UHFFFAOYSA-N
XLogP2.66
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol?
The IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol (CID 24780657) is 2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol is CN(C)c1ccc(-c2nc3cc(O)ccc3o2)cn1.
What is the InChIKey of 2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol?
The InChIKey is RTEOLQIZQATWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-17(2)13-6-3-9(8-15-13)14-16-11-7-10(18)4-5-12(11)19-14/h3-8,18H,1-2H3.
What are the key properties of 2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol?
2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol has a molecular weight of 255.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-3-pyridinyl]-1,3-benzoxazol-5-ol is sourced from PubChem (CID 24780657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).