(2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine

C18H17FN4O — CID 71656804

IUPAC(2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine
SMILESFc1ccc(-c2n[nH]c(-c3ccc([C@@H]4CNCCO4)cc3)n2)cc1
InChIInChI=1S/C18H17FN4O/c19-15-7-5-14(6-8-15)18-21-17(22-23-18)13-3-1-12(2-4-13)16-11-20-9-10-24-16/h1-8,16,20H,9-11H2,(H,21,22,23)/t16-/m0/s1
InChIKeyPUMAQCHRHYXNIF-INIZCTEOSA-N
MW324.36 g/mol
LogP2.94
Rot. Bonds3

About (2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine

(2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine (PubChem CID 71656804) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is (2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine
PubChem CID71656804
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name(2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine
SMILESFc1ccc(-c2n[nH]c(-c3ccc([C@@H]4CNCCO4)cc3)n2)cc1
InChIInChI=1S/C18H17FN4O/c19-15-7-5-14(6-8-15)18-21-17(22-23-18)13-3-1-12(2-4-13)16-11-20-9-10-24-16/h1-8,16,20H,9-11H2,(H,21,22,23)/t16-/m0/s1
InChIKeyPUMAQCHRHYXNIF-INIZCTEOSA-N
XLogP2.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine?
The IUPAC name of (2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine (CID 71656804) is (2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine.
What is the SMILES notation for (2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine?
The canonical SMILES for (2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine is Fc1ccc(-c2n[nH]c(-c3ccc([C@@H]4CNCCO4)cc3)n2)cc1.
What is the InChIKey of (2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine?
The InChIKey is PUMAQCHRHYXNIF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-15-7-5-14(6-8-15)18-21-17(22-23-18)13-3-1-12(2-4-13)16-11-20-9-10-24-16/h1-8,16,20H,9-11H2,(H,21,22,23)/t16-/m0/s1.
What are the key properties of (2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine?
(2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine has a molecular weight of 324.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]phenyl]morpholine is sourced from PubChem (CID 71656804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).