2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine

C16H19ClFN3O2 — CID 122147078

IUPAC2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine
SMILESCC(C)c1noc(CNC2CCOC2c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C16H19ClFN3O2/c1-9(2)16-20-14(23-21-16)8-19-13-5-6-22-15(13)10-3-4-11(17)12(18)7-10/h3-4,7,9,13,15,19H,5-6,8H2,1-2H3
InChIKeyHPGPYDITURIIHT-UHFFFAOYSA-N
MW339.80 g/mol
LogP3.61
Rot. Bonds5

About 2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine

2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine (PubChem CID 122147078) has the molecular formula C16H19ClFN3O2 and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine
PubChem CID122147078
Molecular FormulaC16H19ClFN3O2
Molecular Weight339.80 g/mol
Exact Mass339.11
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine
SMILESCC(C)c1noc(CNC2CCOC2c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C16H19ClFN3O2/c1-9(2)16-20-14(23-21-16)8-19-13-5-6-22-15(13)10-3-4-11(17)12(18)7-10/h3-4,7,9,13,15,19H,5-6,8H2,1-2H3
InChIKeyHPGPYDITURIIHT-UHFFFAOYSA-N
XLogP3.61
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine (CID 122147078) is 2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine is CC(C)c1noc(CNC2CCOC2c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine?
The InChIKey is HPGPYDITURIIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2/c1-9(2)16-20-14(23-21-16)8-19-13-5-6-22-15(13)10-3-4-11(17)12(18)7-10/h3-4,7,9,13,15,19H,5-6,8H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine?
2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine has a molecular weight of 339.80 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 122147078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).