N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine

C19H22FN5O — CID 77097445

IUPACN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
SMILESCN(Cc1noc(C2CCCC2)n1)Cc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C19H22FN5O/c1-24(13-18-22-19(26-23-18)14-5-2-3-6-14)12-15-11-16(20)7-8-17(15)25-10-4-9-21-25/h4,7-11,14H,2-3,5-6,12-13H2,1H3
InChIKeyZUJAXFLBNROLMD-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.68
Rot. Bonds6

About N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine (PubChem CID 77097445) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
PubChem CID77097445
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC NameN-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
SMILESCN(Cc1noc(C2CCCC2)n1)Cc1cc(F)ccc1-n1cccn1
InChIInChI=1S/C19H22FN5O/c1-24(13-18-22-19(26-23-18)14-5-2-3-6-14)12-15-11-16(20)7-8-17(15)25-10-4-9-21-25/h4,7-11,14H,2-3,5-6,12-13H2,1H3
InChIKeyZUJAXFLBNROLMD-UHFFFAOYSA-N
XLogP3.68
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine?
The IUPAC name of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine (CID 77097445) is N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine?
The canonical SMILES for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine is CN(Cc1noc(C2CCCC2)n1)Cc1cc(F)ccc1-n1cccn1.
What is the InChIKey of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine?
The InChIKey is ZUJAXFLBNROLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-24(13-18-22-19(26-23-18)14-5-2-3-6-14)12-15-11-16(20)7-8-17(15)25-10-4-9-21-25/h4,7-11,14H,2-3,5-6,12-13H2,1H3.
What are the key properties of N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine?
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine has a molecular weight of 355.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 77097445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).