5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

C17H18FN5O3 — CID 56740946

IUPAC5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1noc(C(C)N(C)C(=O)c2cc(COc3ccccc3F)[nH]n2)n1
InChIInChI=1S/C17H18FN5O3/c1-10(16-19-11(2)22-26-16)23(3)17(24)14-8-12(20-21-14)9-25-15-7-5-4-6-13(15)18/h4-8,10H,9H2,1-3H3,(H,20,21)
InChIKeyPOECXEMBXHCYRZ-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.65
Rot. Bonds6

About 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 56740946) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID56740946
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1noc(C(C)N(C)C(=O)c2cc(COc3ccccc3F)[nH]n2)n1
InChIInChI=1S/C17H18FN5O3/c1-10(16-19-11(2)22-26-16)23(3)17(24)14-8-12(20-21-14)9-25-15-7-5-4-6-13(15)18/h4-8,10H,9H2,1-3H3,(H,20,21)
InChIKeyPOECXEMBXHCYRZ-UHFFFAOYSA-N
XLogP2.65
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 56740946) is 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1noc(C(C)N(C)C(=O)c2cc(COc3ccccc3F)[nH]n2)n1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is POECXEMBXHCYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3/c1-10(16-19-11(2)22-26-16)23(3)17(24)14-8-12(20-21-14)9-25-15-7-5-4-6-13(15)18/h4-8,10H,9H2,1-3H3,(H,20,21).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 359.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56740946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).