6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol

C16H15N3O2 — CID 79157325

IUPAC6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(-c3cnco3)c2)n1
InChIInChI=1S/C16H15N3O2/c1-11-5-6-15(20)14(19-11)8-18-13-4-2-3-12(7-13)16-9-17-10-21-16/h2-7,9-10,18,20H,8H2,1H3
InChIKeyLFEJVIZMZFQVBM-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.36
Rot. Bonds4

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

6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol (PubChem CID 79157325) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol
PubChem CID79157325
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(-c3cnco3)c2)n1
InChIInChI=1S/C16H15N3O2/c1-11-5-6-15(20)14(19-11)8-18-13-4-2-3-12(7-13)16-9-17-10-21-16/h2-7,9-10,18,20H,8H2,1H3
InChIKeyLFEJVIZMZFQVBM-UHFFFAOYSA-N
XLogP3.36
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-Fluorophenyl)-1,3-oxazol-5-yl]pyridine
CID 16638995
7-(3-Aminophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736438
2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 57948490
5-(4-Methoxyphenyl)-N-(Pyridin-4-Ylmethyl)-1,3-Oxazole-4-Carboxamide
CID 56643097
(R)-2-(2-(4-(oxazol-5-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9858464
(R)-2-(2-(4-(2-ethyloxazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9946573
(R)-2-(2-(4-(2-methyloxazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 9967732
(R)-2-(2-(4-(5-methyloxazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 10131985
(R)-2-(2-(4-(2,5-dimethyloxazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol
CID 44444393
2-[4-[(5-Phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]phenol
CID 8528677
N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42213581
N-butyl-5-phenyl-2-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 51361508

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol (CID 79157325) is 6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNc2cccc(-c3cnco3)c2)n1.
What is the InChIKey of 6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol?
The InChIKey is LFEJVIZMZFQVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-5-6-15(20)14(19-11)8-18-13-4-2-3-12(7-13)16-9-17-10-21-16/h2-7,9-10,18,20H,8H2,1H3.
What are the key properties of 6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol?
6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol has a molecular weight of 281.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[3-(1,3-oxazol-5-yl)anilino]methyl]pyridin-3-ol is sourced from PubChem (CID 79157325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).