(3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine

C19H20FN3O2 — CID 129381721

IUPAC(3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine
SMILESCn1cccc1[C@H]1COCCN1Cc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C19H20FN3O2/c1-22-8-4-7-16(22)17-13-24-10-9-23(17)12-19-21-11-18(25-19)14-5-2-3-6-15(14)20/h2-8,11,17H,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeyUYSMSDASDAQAJA-QGZVFWFLSA-N
MW341.39 g/mol
LogP3.39
Rot. Bonds4

About (3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine

(3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine (PubChem CID 129381721) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is (3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine
PubChem CID129381721
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name(3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine
SMILESCn1cccc1[C@H]1COCCN1Cc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C19H20FN3O2/c1-22-8-4-7-16(22)17-13-24-10-9-23(17)12-19-21-11-18(25-19)14-5-2-3-6-15(14)20/h2-8,11,17H,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeyUYSMSDASDAQAJA-QGZVFWFLSA-N
XLogP3.39
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine?
The IUPAC name of (3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine (CID 129381721) is (3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine.
What is the SMILES notation for (3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine?
The canonical SMILES for (3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine is Cn1cccc1[C@H]1COCCN1Cc1ncc(-c2ccccc2F)o1.
What is the InChIKey of (3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine?
The InChIKey is UYSMSDASDAQAJA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-22-8-4-7-16(22)17-13-24-10-9-23(17)12-19-21-11-18(25-19)14-5-2-3-6-15(14)20/h2-8,11,17H,9-10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine?
(3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine has a molecular weight of 341.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-3-(1-methylpyrrol-2-yl)morpholine is sourced from PubChem (CID 129381721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).