3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol

C14H15N5O3 — CID 167791251

IUPAC3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol
SMILESNCc1ocnc1Cn1cc(COc2cccc(O)c2)nn1
InChIInChI=1S/C14H15N5O3/c15-5-14-13(16-9-22-14)7-19-6-10(17-18-19)8-21-12-3-1-2-11(20)4-12/h1-4,6,9,20H,5,7-8,15H2
InChIKeyGVHZMNJXKSENFL-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.06
Rot. Bonds6

About 3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol

3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol (PubChem CID 167791251) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol.

Molecular Properties

Compound Name3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol
PubChem CID167791251
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol
SMILESNCc1ocnc1Cn1cc(COc2cccc(O)c2)nn1
InChIInChI=1S/C14H15N5O3/c15-5-14-13(16-9-22-14)7-19-6-10(17-18-19)8-21-12-3-1-2-11(20)4-12/h1-4,6,9,20H,5,7-8,15H2
InChIKeyGVHZMNJXKSENFL-UHFFFAOYSA-N
XLogP1.06
TPSA112.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol?
The IUPAC name of 3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol (CID 167791251) is 3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol.
What is the SMILES notation for 3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol?
The canonical SMILES for 3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol is NCc1ocnc1Cn1cc(COc2cccc(O)c2)nn1.
What is the InChIKey of 3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol?
The InChIKey is GVHZMNJXKSENFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c15-5-14-13(16-9-22-14)7-19-6-10(17-18-19)8-21-12-3-1-2-11(20)4-12/h1-4,6,9,20H,5,7-8,15H2.
What are the key properties of 3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol?
3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol has a molecular weight of 301.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[[5-(aminomethyl)-1,3-oxazol-4-yl]methyl]triazol-4-yl]methoxy]phenol is sourced from PubChem (CID 167791251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).