3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one

C19H18FN5O3 — CID 126779690

IUPAC3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
SMILESCn1cc(-c2nc(C3COCCN3C(=O)C=Cc3ccc(F)cc3)no2)cn1
InChIInChI=1S/C19H18FN5O3/c1-24-11-14(10-21-24)19-22-18(23-28-19)16-12-27-9-8-25(16)17(26)7-4-13-2-5-15(20)6-3-13/h2-7,10-11,16H,8-9,12H2,1H3
InChIKeyGVPDKAJNQFBRSY-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.22
Rot. Bonds4

About 3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one

3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one (PubChem CID 126779690) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
PubChem CID126779690
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
SMILESCn1cc(-c2nc(C3COCCN3C(=O)C=Cc3ccc(F)cc3)no2)cn1
InChIInChI=1S/C19H18FN5O3/c1-24-11-14(10-21-24)19-22-18(23-28-19)16-12-27-9-8-25(16)17(26)7-4-13-2-5-15(20)6-3-13/h2-7,10-11,16H,8-9,12H2,1H3
InChIKeyGVPDKAJNQFBRSY-UHFFFAOYSA-N
XLogP2.22
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2,6-difluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 75475246
3-(5-fluoro-3-pyridinyl)-1-[2-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]prop-2-en-1-one
CID 126772870
[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone
CID 97345988
(3,5-dichlorophenyl)-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 75475248
N-(5-chloro-2-pyridinyl)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
CID 127785689
3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 126773272
1-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 75475127
(3R)-4-[(2-chloro-6-fluorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345982
(E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 75474922
3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 126767891
(3R)-4-(4-ethylphenyl)sulfonyl-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345908
3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-[2-(1,2-thiazol-5-yl)ethyl]morpholine
CID 167973673

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one (CID 126779690) is 3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one is Cn1cc(-c2nc(C3COCCN3C(=O)C=Cc3ccc(F)cc3)no2)cn1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one?
The InChIKey is GVPDKAJNQFBRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-24-11-14(10-21-24)19-22-18(23-28-19)16-12-27-9-8-25(16)17(26)7-4-13-2-5-15(20)6-3-13/h2-7,10-11,16H,8-9,12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one?
3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one has a molecular weight of 383.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 126779690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).