2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol

C15H19FN2O2 — CID 115637995

IUPAC2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
SMILESCN(Cc1ncc(-c2ccc(F)cc2)o1)C(C)(C)CO
InChIInChI=1S/C15H19FN2O2/c1-15(2,10-19)18(3)9-14-17-8-13(20-14)11-4-6-12(16)7-5-11/h4-8,19H,9-10H2,1-3H3
InChIKeyXPGUXTNZCFXVPA-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.68
Rot. Bonds5

About 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115637995) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
PubChem CID115637995
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
SMILESCN(Cc1ncc(-c2ccc(F)cc2)o1)C(C)(C)CO
InChIInChI=1S/C15H19FN2O2/c1-15(2,10-19)18(3)9-14-17-8-13(20-14)11-4-6-12(16)7-5-11/h4-8,19H,9-10H2,1-3H3
InChIKeyXPGUXTNZCFXVPA-UHFFFAOYSA-N
XLogP2.68
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115666845
2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60686062
1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62016142
2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60689589
methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
CID 62012661
2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115640871
N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 112815161
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
3-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]propanoic acid
CID 61009900
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 65182883
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile
CID 82397195
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9040276

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol (CID 115637995) is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol is CN(Cc1ncc(-c2ccc(F)cc2)o1)C(C)(C)CO.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is XPGUXTNZCFXVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-15(2,10-19)18(3)9-14-17-8-13(20-14)11-4-6-12(16)7-5-11/h4-8,19H,9-10H2,1-3H3.
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol?
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 278.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115637995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).