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

C12H15N3O2 — CID 107230713

IUPAC[3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol
SMILESCc1nonc1CNCc1cccc(CO)c1
InChIInChI=1S/C12H15N3O2/c1-9-12(15-17-14-9)7-13-6-10-3-2-4-11(5-10)8-16/h2-5,13,16H,6-8H2,1H3
InChIKeyFTGUVCLJWCSENQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.16
Rot. Bonds5

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

[3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol (PubChem CID 107230713) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is [3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol
PubChem CID107230713
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name[3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol
SMILESCc1nonc1CNCc1cccc(CO)c1
InChIInChI=1S/C12H15N3O2/c1-9-12(15-17-14-9)7-13-6-10-3-2-4-11(5-10)8-16/h2-5,13,16H,6-8H2,1H3
InChIKeyFTGUVCLJWCSENQ-UHFFFAOYSA-N
XLogP1.16
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-bromophenyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]ethanol
CID 138017520
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 112421810
(2,4,6-Trimethyl-3-{[2-(4-methyl-1,2,5-oxadiazol-3-YL)pyrrolidin-1-YL]methyl}phenyl)methanol
CID 46984600
[2,4,6-trimethyl-3-[[(2R)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 52380057
[2,4,6-trimethyl-3-[[(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 52380059
2-[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]-1-phenylethanol
CID 64061833
1-[2-(ethoxymethyl)phenyl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
CID 64062443
1-[2-(methoxymethyl)phenyl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
CID 64062644
2-[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]-3-phenylpropan-1-ol
CID 64063082
1-[3-(methoxymethyl)phenyl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
CID 64063239
2-[(4-Methyl-1,2,5-oxadiazol-3-yl)methylamino]-2-phenylethanol
CID 64063452
1-(4-methyl-1,2,5-oxadiazol-3-yl)-N-phenylmethoxymethanamine
CID 64974312

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol (CID 107230713) is [3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol is Cc1nonc1CNCc1cccc(CO)c1.
What is the InChIKey of [3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is FTGUVCLJWCSENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-12(15-17-14-9)7-13-6-10-3-2-4-11(5-10)8-16/h2-5,13,16H,6-8H2,1H3.
What are the key properties of [3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol?
[3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 233.27 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 107230713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).