(2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

C17H18FN5O2 — CID 95610123

IUPAC(2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESFc1cccc(-c2nc(CN3CCO[C@@H](Cn4cncn4)C3)co2)c1
InChIInChI=1S/C17H18FN5O2/c18-14-3-1-2-13(6-14)17-21-15(10-25-17)7-22-4-5-24-16(8-22)9-23-12-19-11-20-23/h1-3,6,10-12,16H,4-5,7-9H2/t16-/m1/s1
InChIKeyQHBMYQPVYPISPA-MRXNPFEDSA-N
MW343.36 g/mol
LogP1.97
Rot. Bonds5

About (2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

(2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 95610123) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is (2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID95610123
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name(2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESFc1cccc(-c2nc(CN3CCO[C@@H](Cn4cncn4)C3)co2)c1
InChIInChI=1S/C17H18FN5O2/c18-14-3-1-2-13(6-14)17-21-15(10-25-17)7-22-4-5-24-16(8-22)9-23-12-19-11-20-23/h1-3,6,10-12,16H,4-5,7-9H2/t16-/m1/s1
InChIKeyQHBMYQPVYPISPA-MRXNPFEDSA-N
XLogP1.97
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 95610123) is (2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is Fc1cccc(-c2nc(CN3CCO[C@@H](Cn4cncn4)C3)co2)c1.
What is the InChIKey of (2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is QHBMYQPVYPISPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18FN5O2/c18-14-3-1-2-13(6-14)17-21-15(10-25-17)7-22-4-5-24-16(8-22)9-23-12-19-11-20-23/h1-3,6,10-12,16H,4-5,7-9H2/t16-/m1/s1.
What are the key properties of (2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
(2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 343.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95610123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).