(2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine

C19H19FN2O2 — CID 71656895

IUPAC(2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine
SMILESFc1ccc([C@@H]2COC(c3ccc([C@H]4CNCCO4)cc3)=N2)cc1
InChIInChI=1S/C19H19FN2O2/c20-16-7-5-13(6-8-16)17-12-24-19(22-17)15-3-1-14(2-4-15)18-11-21-9-10-23-18/h1-8,17-18,21H,9-12H2/t17-,18+/m0/s1
InChIKeyBTLBAHJDUKEBCM-ZWKOTPCHSA-N
MW326.37 g/mol
LogP3.00
Rot. Bonds3

About (2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine

(2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine (PubChem CID 71656895) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine
PubChem CID71656895
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine
SMILESFc1ccc([C@@H]2COC(c3ccc([C@H]4CNCCO4)cc3)=N2)cc1
InChIInChI=1S/C19H19FN2O2/c20-16-7-5-13(6-8-16)17-12-24-19(22-17)15-3-1-14(2-4-15)18-11-21-9-10-23-18/h1-8,17-18,21H,9-12H2/t17-,18+/m0/s1
InChIKeyBTLBAHJDUKEBCM-ZWKOTPCHSA-N
XLogP3.00
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine?
The IUPAC name of (2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine (CID 71656895) is (2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine is Fc1ccc([C@@H]2COC(c3ccc([C@H]4CNCCO4)cc3)=N2)cc1.
What is the InChIKey of (2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine?
The InChIKey is BTLBAHJDUKEBCM-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-16-7-5-13(6-8-16)17-12-24-19(22-17)15-3-1-14(2-4-15)18-11-21-9-10-23-18/h1-8,17-18,21H,9-12H2/t17-,18+/m0/s1.
What are the key properties of (2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine?
(2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine has a molecular weight of 326.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(4R)-4-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]morpholine is sourced from PubChem (CID 71656895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).