2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol

C14H17FN2O2 — CID 79236061

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol
SMILESCc1noc(C)c1CNC(C)c1ccc(F)cc1O
InChIInChI=1S/C14H17FN2O2/c1-8(12-5-4-11(15)6-14(12)18)16-7-13-9(2)17-19-10(13)3/h4-6,8,16,18H,7H2,1-3H3
InChIKeyVVTDBNFXKNXPOX-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.99
Rot. Bonds4

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

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol (PubChem CID 79236061) 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)methylamino]ethyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol
PubChem CID79236061
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol
SMILESCc1noc(C)c1CNC(C)c1ccc(F)cc1O
InChIInChI=1S/C14H17FN2O2/c1-8(12-5-4-11(15)6-14(12)18)16-7-13-9(2)17-19-10(13)3/h4-6,8,16,18H,7H2,1-3H3
InChIKeyVVTDBNFXKNXPOX-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

1-(2,4-dibromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 79236475
5-fluoro-2-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethyl]phenol
CID 63067998
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol
CID 103948779
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
(1S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 81383318
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine
CID 79237158
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 115712429
5-fluoro-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63306023
5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 63068009
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-2-methylbenzamide
CID 112702398
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 60961090

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol (CID 79236061) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol is Cc1noc(C)c1CNC(C)c1ccc(F)cc1O.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol?
The InChIKey is VVTDBNFXKNXPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8(12-5-4-11(15)6-14(12)18)16-7-13-9(2)17-19-10(13)3/h4-6,8,16,18H,7H2,1-3H3.
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-fluorophenol?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]ethyl]-5-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)methylamino]ethyl]-5-fluorophenol is sourced from PubChem (CID 79236061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).