(2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine

C15H18FN3O2 — CID 97188855

IUPAC(2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCCCc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)o1
InChIInChI=1S/C15H18FN3O2/c1-2-3-14-17-18-15(21-14)19-8-9-20-13(10-19)11-4-6-12(16)7-5-11/h4-7,13H,2-3,8-10H2,1H3/t13-/m1/s1
InChIKeyBMQZTMMOMZUNJB-CYBMUJFWSA-N
MW291.33 g/mol
LogP2.74
Rot. Bonds4

About (2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine

(2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 97188855) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID97188855
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name(2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCCCc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)o1
InChIInChI=1S/C15H18FN3O2/c1-2-3-14-17-18-15(21-14)19-8-9-20-13(10-19)11-4-6-12(16)7-5-11/h4-7,13H,2-3,8-10H2,1H3/t13-/m1/s1
InChIKeyBMQZTMMOMZUNJB-CYBMUJFWSA-N
XLogP2.74
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine (CID 97188855) is (2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine is CCCc1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)o1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is BMQZTMMOMZUNJB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-2-3-14-17-18-15(21-14)19-8-9-20-13(10-19)11-4-6-12(16)7-5-11/h4-7,13H,2-3,8-10H2,1H3/t13-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine?
(2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 291.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 97188855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).