N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide

C26H30FN5O3 — CID 166976836

IUPACN-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide
SMILESC=C(CCF)C(=O)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2nnc(C3CC3)o2)c1
InChIInChI=1S/C26H30FN5O3/c1-17(13-14-27)26(33)32(15-4-2-3-8-22-28-23(31-35-22)18-9-10-18)21-7-5-6-20(16-21)25-30-29-24(34-25)19-11-12-19/h5-7,16,18-19H,1-4,8-15H2
InChIKeyUIPRMJIAYOJLNU-UHFFFAOYSA-N
MW479.56 g/mol
LogP5.54
Rot. Bonds13

About N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide (PubChem CID 166976836) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide.

Molecular Properties

Compound NameN-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide
PubChem CID166976836
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC NameN-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide
SMILESC=C(CCF)C(=O)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2nnc(C3CC3)o2)c1
InChIInChI=1S/C26H30FN5O3/c1-17(13-14-27)26(33)32(15-4-2-3-8-22-28-23(31-35-22)18-9-10-18)21-7-5-6-20(16-21)25-30-29-24(34-25)19-11-12-19/h5-7,16,18-19H,1-4,8-15H2
InChIKeyUIPRMJIAYOJLNU-UHFFFAOYSA-N
XLogP5.54
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide?
The IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide (CID 166976836) is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide.
What is the SMILES notation for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide?
The canonical SMILES for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide is C=C(CCF)C(=O)N(CCCCCc1nc(C2CC2)no1)c1cccc(-c2nnc(C3CC3)o2)c1.
What is the InChIKey of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide?
The InChIKey is UIPRMJIAYOJLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3/c1-17(13-14-27)26(33)32(15-4-2-3-8-22-28-23(31-35-22)18-9-10-18)21-7-5-6-20(16-21)25-30-29-24(34-25)19-11-12-19/h5-7,16,18-19H,1-4,8-15H2.
What are the key properties of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide?
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide has a molecular weight of 479.56 g/mol, XLogP of 5.54, 13 rotatable bonds, 0 hydrogen bond donors, and 7 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-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]-4-fluoro-2-methylidenebutanamide is sourced from PubChem (CID 166976836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).