2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol

C15H18F2N2O2 — CID 107485496

IUPAC2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol
SMILESCc1ccc(-c2nc(CN(CCO)CC(F)F)co2)cc1
InChIInChI=1S/C15H18F2N2O2/c1-11-2-4-12(5-3-11)15-18-13(10-21-15)8-19(6-7-20)9-14(16)17/h2-5,10,14,20H,6-9H2,1H3
InChIKeyMLBKWEAUKSQJJH-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.71
Rot. Bonds7

About 2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol

2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol (PubChem CID 107485496) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol
PubChem CID107485496
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol
SMILESCc1ccc(-c2nc(CN(CCO)CC(F)F)co2)cc1
InChIInChI=1S/C15H18F2N2O2/c1-11-2-4-12(5-3-11)15-18-13(10-21-15)8-19(6-7-20)9-14(16)17/h2-5,10,14,20H,6-9H2,1H3
InChIKeyMLBKWEAUKSQJJH-UHFFFAOYSA-N
XLogP2.71
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diphenyloxazole
CID 168750
2-[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetic acid
CID 3244952
2-Phenyl-4-oxazolecarboxamide
CID 604678
2-(2-Phenyl-1,3-oxazol-4-yl)acetic acid
CID 7131950
4-[[5-Methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
CID 16187589
[(2S)-1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-2-pyrrolidinyl]methanol
CID 16189138
4-{[2-(4-Fluorophenyl)-1,3-oxazol-4-yl]acetyl}morpholine
CID 3244402
N-[[4-[4-(3-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10126996
2-phenyl-N-[[4-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]acetamide
CID 10150826
N-[[4-[4-(3-hydroxypiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10151034
N-[[4-[4-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173001
N-[[4-[4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]phenyl]methyl]-2-phenylacetamide
CID 10173261

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol (CID 107485496) is 2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol is Cc1ccc(-c2nc(CN(CCO)CC(F)F)co2)cc1.
What is the InChIKey of 2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol?
The InChIKey is MLBKWEAUKSQJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-11-2-4-12(5-3-11)15-18-13(10-21-15)8-19(6-7-20)9-14(16)17/h2-5,10,14,20H,6-9H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol?
2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol has a molecular weight of 296.32 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 107485496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).