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

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

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Related Compounds

[4-[[4-[(3-methylsulfonylphenoxy)methyl]triazol-1-yl]methyl]-1,3-oxazol-5-yl]methanamine
CID 167874836
3-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]phenol
CID 166366791
3-[[1-(2H-triazol-4-ylmethyl)triazol-4-yl]methoxy]phenol
CID 167992744
4-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]benzamide
CID 166366840
3-[[1-[(2-tert-butylpyrimidin-5-yl)methyl]triazol-4-yl]methoxy]phenol
CID 166267088
3-[[1-(1H-imidazol-5-ylmethyl)triazol-4-yl]methoxy]phenol
CID 166366605
N-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-[[4-[(3-hydroxyphenoxy)methyl]triazol-1-yl]methyl]furan-2-carboxamide
CID 166366776
3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
CID 166366746
3-[[1-[(8-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
CID 166366593
4-[(3-nitrophenoxy)methyl]-1-[(4-nitrophenyl)methyl]triazole
CID 127038779
3-[(6-amino-2-pyridinyl)methoxy]phenol
CID 105469629
1-[(4-iodophenyl)methyl]-4-(phenoxymethyl)triazole
CID 169095528

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).