N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine

C21H28FN5O — CID 56571124

IUPACN-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
SMILESCCCCc1noc(C(C)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)n1
InChIInChI=1S/C21H28FN5O/c1-4-5-8-20-23-21(28-26-20)15(2)27(3)13-6-7-18-14-19(25-24-18)16-9-11-17(22)12-10-16/h9-12,14-15H,4-8,13H2,1-3H3,(H,24,25)
InChIKeyUEELYBBXIKCJTI-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.57
Rot. Bonds10

About N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine

N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine (PubChem CID 56571124) has the molecular formula C21H28FN5O and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
PubChem CID56571124
Molecular FormulaC21H28FN5O
Molecular Weight385.49 g/mol
Exact Mass385.23
IUPAC NameN-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
SMILESCCCCc1noc(C(C)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)n1
InChIInChI=1S/C21H28FN5O/c1-4-5-8-20-23-21(28-26-20)15(2)27(3)13-6-7-18-14-19(25-24-18)16-9-11-17(22)12-10-16/h9-12,14-15H,4-8,13H2,1-3H3,(H,24,25)
InChIKeyUEELYBBXIKCJTI-UHFFFAOYSA-N
XLogP4.57
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 95139304
3-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]propanoic acid
CID 119911266
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propan-1-amine
CID 56571224
N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 86998729
3-butyl-5-propan-2-yl-1,2,4-oxadiazole
CID 123624408
N-(benzylcarbamoyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539419
N-[2-(difluoromethoxy)phenyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539774
N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539527
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyloxane-4-carboxamide
CID 86998711
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine
CID 56574718
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 56571156
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 86900477

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
The IUPAC name of N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine (CID 56571124) is N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine is CCCCc1noc(C(C)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)n1.
What is the InChIKey of N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
The InChIKey is UEELYBBXIKCJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O/c1-4-5-8-20-23-21(28-26-20)15(2)27(3)13-6-7-18-14-19(25-24-18)16-9-11-17(22)12-10-16/h9-12,14-15H,4-8,13H2,1-3H3,(H,24,25).
What are the key properties of N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine?
N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine has a molecular weight of 385.49 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 56571124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).