2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol

C15H18F2N2O2 — CID 111334415

IUPAC2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol
SMILESCc1noc(C)c1CNCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2N2O2/c1-9-12(10(2)21-19-9)7-18-8-15(3,20)13-5-4-11(16)6-14(13)17/h4-6,18,20H,7-8H2,1-3H3
InChIKeyAASARWMPBMCBTI-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.57
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol

2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol (PubChem CID 111334415) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol
PubChem CID111334415
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol
SMILESCc1noc(C)c1CNCC(C)(O)c1ccc(F)cc1F
InChIInChI=1S/C15H18F2N2O2/c1-9-12(10(2)21-19-9)7-18-8-15(3,20)13-5-4-11(16)6-14(13)17/h4-6,18,20H,7-8H2,1-3H3
InChIKeyAASARWMPBMCBTI-UHFFFAOYSA-N
XLogP2.57
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol with MolForge

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Related Compounds

2-(2,4-difluorophenyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 111334389
2-(2,4-difluorophenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 111466873
2-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]-4,5-dimethylphenol
CID 99811942
2-[[[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]-4,5-dimethylphenol
CID 99811943
2-(2,4-difluorophenyl)-1-[(3-fluorophenyl)methylamino]propan-2-ol
CID 111334411
1-(2-bromo-5-fluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 60961090
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)urea
CID 109397194
5-[[[2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]thiophene-3-carboxylic acid
CID 167895497
2-(2,4-difluorophenyl)-1-[(3-fluoro-4-methoxyphenyl)methylamino]propan-2-ol
CID 111334400
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 79225192
1-(3,5-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 115579772
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3,3-dimethylbutan-1-ol
CID 111470652

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol (CID 111334415) is 2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol is Cc1noc(C)c1CNCC(C)(O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol?
The InChIKey is AASARWMPBMCBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-9-12(10(2)21-19-9)7-18-8-15(3,20)13-5-4-11(16)6-14(13)17/h4-6,18,20H,7-8H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol?
2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol has a molecular weight of 296.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 111334415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).