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

C14H15ClFN3O2 — CID 86787746

IUPACN-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine
SMILESCc1nc(C(NC2CCOC2)c2ccc(Cl)c(F)c2)no1
InChIInChI=1S/C14H15ClFN3O2/c1-8-17-14(19-21-8)13(18-10-4-5-20-7-10)9-2-3-11(15)12(16)6-9/h2-3,6,10,13,18H,4-5,7H2,1H3
InChIKeyODPUDWVLRJFUAR-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.64
Rot. Bonds4

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

N-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine (PubChem CID 86787746) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine
PubChem CID86787746
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC NameN-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine
SMILESCc1nc(C(NC2CCOC2)c2ccc(Cl)c(F)c2)no1
InChIInChI=1S/C14H15ClFN3O2/c1-8-17-14(19-21-8)13(18-10-4-5-20-7-10)9-2-3-11(15)12(16)6-9/h2-3,6,10,13,18H,4-5,7H2,1H3
InChIKeyODPUDWVLRJFUAR-UHFFFAOYSA-N
XLogP2.64
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine (CID 86787746) is N-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine is Cc1nc(C(NC2CCOC2)c2ccc(Cl)c(F)c2)no1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine?
The InChIKey is ODPUDWVLRJFUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-8-17-14(19-21-8)13(18-10-4-5-20-7-10)9-2-3-11(15)12(16)6-9/h2-3,6,10,13,18H,4-5,7H2,1H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine?
N-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine has a molecular weight of 311.74 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 86787746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).