6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol

C14H13N3O2 — CID 79775669

IUPAC6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol
SMILESCc1nc2cc(NCc3ccc(O)cn3)ccc2o1
InChIInChI=1S/C14H13N3O2/c1-9-17-13-6-10(3-5-14(13)19-9)15-7-11-2-4-12(18)8-16-11/h2-6,8,15,18H,7H2,1H3
InChIKeyCUHSJYLRURNLBL-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.85
Rot. Bonds3

About 6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol

6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol (PubChem CID 79775669) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol
PubChem CID79775669
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol
SMILESCc1nc2cc(NCc3ccc(O)cn3)ccc2o1
InChIInChI=1S/C14H13N3O2/c1-9-17-13-6-10(3-5-14(13)19-9)15-7-11-2-4-12(18)8-16-11/h2-6,8,15,18H,7H2,1H3
InChIKeyCUHSJYLRURNLBL-UHFFFAOYSA-N
XLogP2.85
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]benzene-1,3-diol
CID 28675939
N-ethyl-2-methyl-1,3-benzoxazol-5-amine
CID 28676121
2-methyl-N-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-5-amine
CID 115212658
2-fluoro-6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]phenol
CID 115951019
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
2-methyl-N-(2-methylpropyl)-1,3-benzoxazol-5-amine
CID 28675901
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-benzoxazol-5-amine
CID 28676136
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methyl-1,3-benzoxazol-5-amine
CID 102831114
5-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]thiophene-3-carbonitrile
CID 79553695
4-[(2-methyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115218475
N-[4-[(5-hydroxy-2-pyridinyl)methylamino]phenyl]acetamide
CID 79776095
6-(anilinomethyl)pyridin-3-ol
CID 79787965

Frequently Asked Questions

What is the IUPAC name of 6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol (CID 79775669) is 6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol is Cc1nc2cc(NCc3ccc(O)cn3)ccc2o1.
What is the InChIKey of 6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol?
The InChIKey is CUHSJYLRURNLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-17-13-6-10(3-5-14(13)19-9)15-7-11-2-4-12(18)8-16-11/h2-6,8,15,18H,7H2,1H3.
What are the key properties of 6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol?
6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol has a molecular weight of 255.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 79775669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).