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

C14H18FN3O2 — CID 115640871

IUPAC2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol
SMILESCN(Cc1noc(-c2ccc(F)cc2)n1)C(C)(C)CO
InChIInChI=1S/C14H18FN3O2/c1-14(2,9-19)18(3)8-12-16-13(20-17-12)10-4-6-11(15)7-5-10/h4-7,19H,8-9H2,1-3H3
InChIKeyXNUPSBFCPAHBOW-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.08
Rot. Bonds5

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

2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol (PubChem CID 115640871) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol
PubChem CID115640871
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol
SMILESCN(Cc1noc(-c2ccc(F)cc2)n1)C(C)(C)CO
InChIInChI=1S/C14H18FN3O2/c1-14(2,9-19)18(3)8-12-16-13(20-17-12)10-4-6-11(15)7-5-10/h4-7,19H,8-9H2,1-3H3
InChIKeyXNUPSBFCPAHBOW-UHFFFAOYSA-N
XLogP2.08
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol (CID 115640871) is 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol is CN(Cc1noc(-c2ccc(F)cc2)n1)C(C)(C)CO.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol?
The InChIKey is XNUPSBFCPAHBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-14(2,9-19)18(3)8-12-16-13(20-17-12)10-4-6-11(15)7-5-10/h4-7,19H,8-9H2,1-3H3.
What are the key properties of 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol?
2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol has a molecular weight of 279.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115640871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).