N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide

C28H33FN4O3 — CID 166977225

IUPACN-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide
SMILESC=C(F)CCC(=O)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2cc(OCC)ccn2)c1
InChIInChI=1S/C28H33FN4O3/c1-3-35-24-15-16-30-25(19-24)22-8-7-9-23(18-22)33(27(34)14-11-20(2)29)17-6-4-5-10-26-31-28(32-36-26)21-12-13-21/h7-9,15-16,18-19,21H,2-6,10-14,17H2,1H3
InChIKeyKJQQBLGLZNWISF-UHFFFAOYSA-N
MW492.60 g/mol
LogP6.42
Rot. Bonds14

About N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide (PubChem CID 166977225) has the molecular formula C28H33FN4O3 and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide.

Molecular Properties

Compound NameN-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide
PubChem CID166977225
Molecular FormulaC28H33FN4O3
Molecular Weight492.60 g/mol
Exact Mass492.25
IUPAC NameN-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide
SMILESC=C(F)CCC(=O)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2cc(OCC)ccn2)c1
InChIInChI=1S/C28H33FN4O3/c1-3-35-24-15-16-30-25(19-24)22-8-7-9-23(18-22)33(27(34)14-11-20(2)29)17-6-4-5-10-26-31-28(32-36-26)21-12-13-21/h7-9,15-16,18-19,21H,2-6,10-14,17H2,1H3
InChIKeyKJQQBLGLZNWISF-UHFFFAOYSA-N
XLogP6.42
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-(2-methyl-1,3-benzothiazol-5-yl)phenyl]pent-4-enamide
CID 166977046
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide
CID 166976908
N-[3-(3-cyano-4-fluorophenyl)phenyl]-N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoropent-4-enamide;ethene
CID 154682993
N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluoropent-4-enamide
CID 166976960
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]pentyl]-4-fluoropent-4-enamide
CID 166977101
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-(3-methoxyphenyl)-2-methylidenebutanamide
CID 154683890
N-[(6Z)-6-amino-6-hydroxyiminohexyl]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-fluoropent-4-enamide
CID 166976720
N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-(5-methoxypyrimidin-2-yl)phenyl]pent-4-enamide
CID 166977128
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide
CID 155063988
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-2-methylidene-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]butanamide
CID 166977203
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-ethoxy-1,3,4-oxadiazol-2-yl)phenyl]-3,3-difluorocyclopentane-1-carboxamide
CID 166976767
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]-3-fluorobicyclo[1.1.1]pentane-1-carboxamide
CID 166976712

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide?
The IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide (CID 166977225) is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide.
What is the SMILES notation for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide?
The canonical SMILES for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide is C=C(F)CCC(=O)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2cc(OCC)ccn2)c1.
What is the InChIKey of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide?
The InChIKey is KJQQBLGLZNWISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O3/c1-3-35-24-15-16-30-25(19-24)22-8-7-9-23(18-22)33(27(34)14-11-20(2)29)17-6-4-5-10-26-31-28(32-36-26)21-12-13-21/h7-9,15-16,18-19,21H,2-6,10-14,17H2,1H3.
What are the key properties of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide?
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide has a molecular weight of 492.60 g/mol, XLogP of 6.42, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide is sourced from PubChem (CID 166977225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).