6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol

C21H19N3O3 — CID 118913258

IUPAC6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol
SMILESCNCc1cccc(-c2nc3cc(OCc4ccc(O)cn4)ccc3o2)c1
InChIInChI=1S/C21H19N3O3/c1-22-11-14-3-2-4-15(9-14)21-24-19-10-18(7-8-20(19)27-21)26-13-16-5-6-17(25)12-23-16/h2-10,12,22,25H,11,13H2,1H3
InChIKeyWYEXPVCZGAPOGA-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.89
Rot. Bonds6

About 6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol

6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol (PubChem CID 118913258) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol
PubChem CID118913258
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol
SMILESCNCc1cccc(-c2nc3cc(OCc4ccc(O)cn4)ccc3o2)c1
InChIInChI=1S/C21H19N3O3/c1-22-11-14-3-2-4-15(9-14)21-24-19-10-18(7-8-20(19)27-21)26-13-16-5-6-17(25)12-23-16/h2-10,12,22,25H,11,13H2,1H3
InChIKeyWYEXPVCZGAPOGA-UHFFFAOYSA-N
XLogP3.89
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol with MolForge

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Related Compounds

1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine
CID 118905097
5-[5-[(5-hydroxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]-1-methylpyrazin-2-one
CID 177055873
1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357642
N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide
CID 157274002
5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole
CID 166644722
5-[[5-(ethoxymethoxy)-2-pyridinyl]methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 159177911
1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357631
1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486021
2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole
CID 118905509
5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole
CID 118905431
5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 118905169
methyl 2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazole-7-carboxylate
CID 66621015

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol?
The IUPAC name of 6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol (CID 118913258) is 6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol.
What is the SMILES notation for 6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol?
The canonical SMILES for 6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol is CNCc1cccc(-c2nc3cc(OCc4ccc(O)cn4)ccc3o2)c1.
What is the InChIKey of 6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol?
The InChIKey is WYEXPVCZGAPOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-22-11-14-3-2-4-15(9-14)21-24-19-10-18(7-8-20(19)27-21)26-13-16-5-6-17(25)12-23-16/h2-10,12,22,25H,11,13H2,1H3.
What are the key properties of 6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol?
6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol has a molecular weight of 361.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol is sourced from PubChem (CID 118913258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).