2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol

C14H17FN2O2 — CID 103948779

IUPAC2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol
SMILESCc1noc(C)c1C(C)NCc1cc(F)ccc1O
InChIInChI=1S/C14H17FN2O2/c1-8(14-9(2)17-19-10(14)3)16-7-11-6-12(15)4-5-13(11)18/h4-6,8,16,18H,7H2,1-3H3
InChIKeyWWMGDTCMQNTHFX-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.99
Rot. Bonds4

About 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol

2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol (PubChem CID 103948779) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol
PubChem CID103948779
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol
SMILESCc1noc(C)c1C(C)NCc1cc(F)ccc1O
InChIInChI=1S/C14H17FN2O2/c1-8(14-9(2)17-19-10(14)3)16-7-11-6-12(15)4-5-13(11)18/h4-6,8,16,18H,7H2,1-3H3
InChIKeyWWMGDTCMQNTHFX-UHFFFAOYSA-N
XLogP2.99
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-methylphenol
CID 78961384
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol
CID 112554882
N-[(3,4-difluorophenyl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 78961733
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol
CID 79236061
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
4-fluoro-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 107694502
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 79236645
2-[[1-(4-bromophenyl)ethylamino]methyl]-4-fluorophenol
CID 103947939
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78961689
N-[(3-chloro-4-pyridinyl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79241523
4-fluoro-2-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenol
CID 103948850
2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 79231338

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol?
The IUPAC name of 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol (CID 103948779) is 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol.
What is the SMILES notation for 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol?
The canonical SMILES for 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol is Cc1noc(C)c1C(C)NCc1cc(F)ccc1O.
What is the InChIKey of 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol?
The InChIKey is WWMGDTCMQNTHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8(14-9(2)17-19-10(14)3)16-7-11-6-12(15)4-5-13(11)18/h4-6,8,16,18H,7H2,1-3H3.
What are the key properties of 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol?
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol has a molecular weight of 264.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol is sourced from PubChem (CID 103948779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).