4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol

C11H13N3O2 — CID 114331691

IUPAC4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol
SMILESCc1nonc1CNCc1ccc(O)cc1
InChIInChI=1S/C11H13N3O2/c1-8-11(14-16-13-8)7-12-6-9-2-4-10(15)5-3-9/h2-5,12,15H,6-7H2,1H3
InChIKeyZBRXENZNRGNLCX-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.37
Rot. Bonds4

About 4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol

4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol (PubChem CID 114331691) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol
PubChem CID114331691
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol
SMILESCc1nonc1CNCc1ccc(O)cc1
InChIInChI=1S/C11H13N3O2/c1-8-11(14-16-13-8)7-12-6-9-2-4-10(15)5-3-9/h2-5,12,15H,6-7H2,1H3
InChIKeyZBRXENZNRGNLCX-UHFFFAOYSA-N
XLogP1.37
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
CID 64061612
2-[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-phenylethanol
CID 64061833
1-(3-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
CID 64061837
2-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 64062013
1-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
CID 64062621
1-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 66244489
(1S)-1-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 81370497
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 81370581
[3-[[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol
CID 107230713
[4-[[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol
CID 113933882
2-[[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol
CID 114331900
3-(2-{1-[(4-Methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-2-yl}ethyl)phenol
CID 135119978

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol (CID 114331691) is 4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol is Cc1nonc1CNCc1ccc(O)cc1.
What is the InChIKey of 4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol?
The InChIKey is ZBRXENZNRGNLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-11(14-16-13-8)7-12-6-9-2-4-10(15)5-3-9/h2-5,12,15H,6-7H2,1H3.
What are the key properties of 4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol?
4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol has a molecular weight of 219.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenol is sourced from PubChem (CID 114331691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).