3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide

C19H21FN4O3 — CID 172888708

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide
SMILESC=CC(=O)N1CCC[C@@H](NC(=O)CCc2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C19H21FN4O3/c1-2-18(26)24-11-3-4-15(12-24)21-16(25)9-10-17-22-19(23-27-17)13-5-7-14(20)8-6-13/h2,5-8,15H,1,3-4,9-12H2,(H,21,25)/t15-/m1/s1
InChIKeyHMGOCXWYAVYOKY-OAHLLOKOSA-N
MW372.40 g/mol
LogP2.10
Rot. Bonds6

About 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide (PubChem CID 172888708) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide
PubChem CID172888708
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide
SMILESC=CC(=O)N1CCC[C@@H](NC(=O)CCc2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C19H21FN4O3/c1-2-18(26)24-11-3-4-15(12-24)21-16(25)9-10-17-22-19(23-27-17)13-5-7-14(20)8-6-13/h2,5-8,15H,1,3-4,9-12H2,(H,21,25)/t15-/m1/s1
InChIKeyHMGOCXWYAVYOKY-OAHLLOKOSA-N
XLogP2.10
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502231
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CID 46559142
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 25479419
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-hydroxycyclohexyl)butanamide
CID 110890082
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide
CID 9293283
1-[3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one
CID 166419273
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 9225773
N-[(3S)-1-(3-fluorophenyl)piperidin-3-yl]-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 99274476
N-piperidin-3-yl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119425634
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide (CID 172888708) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide is C=CC(=O)N1CCC[C@@H](NC(=O)CCc2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide?
The InChIKey is HMGOCXWYAVYOKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-2-18(26)24-11-3-4-15(12-24)21-16(25)9-10-17-22-19(23-27-17)13-5-7-14(20)8-6-13/h2,5-8,15H,1,3-4,9-12H2,(H,21,25)/t15-/m1/s1.
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide has a molecular weight of 372.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide is sourced from PubChem (CID 172888708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).