N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide

C26H29FN6O2 — CID 155063988

IUPACN-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide
SMILESO=C(CCC#CF)N(CCCCCc1nc(C2CC2)no1)c1cccc(-n2cc(C3CC3)nn2)c1
InChIInChI=1S/C26H29FN6O2/c27-15-4-3-10-25(34)32(16-5-1-2-9-24-28-26(30-35-24)20-13-14-20)21-7-6-8-22(17-21)33-18-23(29-31-33)19-11-12-19/h6-8,17-20H,1-3,5,9-14,16H2
InChIKeyLXCUBYNMSOPDCF-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.86
Rot. Bonds12

About N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide (PubChem CID 155063988) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide.

Molecular Properties

Compound NameN-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide
PubChem CID155063988
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC NameN-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide
SMILESO=C(CCC#CF)N(CCCCCc1nc(C2CC2)no1)c1cccc(-n2cc(C3CC3)nn2)c1
InChIInChI=1S/C26H29FN6O2/c27-15-4-3-10-25(34)32(16-5-1-2-9-24-28-26(30-35-24)20-13-14-20)21-7-6-8-22(17-21)33-18-23(29-31-33)19-11-12-19/h6-8,17-20H,1-3,5,9-14,16H2
InChIKeyLXCUBYNMSOPDCF-UHFFFAOYSA-N
XLogP4.86
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide
CID 166977225
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-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-[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]-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 167077833
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
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-(3-methoxyphenyl)-2-methylidenebutanamide
CID 154683890
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenyl]oxane-4-carboxamide
CID 167077753
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-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-2-methylidenebutanamide
CID 166976975
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-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

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide?
The IUPAC name of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide (CID 155063988) is N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide.
What is the SMILES notation for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide?
The canonical SMILES for N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide is O=C(CCC#CF)N(CCCCCc1nc(C2CC2)no1)c1cccc(-n2cc(C3CC3)nn2)c1.
What is the InChIKey of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide?
The InChIKey is LXCUBYNMSOPDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c27-15-4-3-10-25(34)32(16-5-1-2-9-24-28-26(30-35-24)20-13-14-20)21-7-6-8-22(17-21)33-18-23(29-31-33)19-11-12-19/h6-8,17-20H,1-3,5,9-14,16H2.
What are the key properties of N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide?
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide has a molecular weight of 476.56 g/mol, XLogP of 4.86, 12 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-(4-cyclopropyltriazol-1-yl)phenyl]-5-fluoropent-4-ynamide is sourced from PubChem (CID 155063988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).