N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide

C22H23FN4O3 — CID 91909857

IUPACN-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(OCc2nc(C3CCCN3C(=O)Nc3ccc(C)c(F)c3)no2)cc1
InChIInChI=1S/C22H23FN4O3/c1-14-5-9-17(10-6-14)29-13-20-25-21(26-30-20)19-4-3-11-27(19)22(28)24-16-8-7-15(2)18(23)12-16/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,24,28)
InChIKeyBUACQOITIMHUKV-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.77
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide

N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 91909857) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID91909857
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(OCc2nc(C3CCCN3C(=O)Nc3ccc(C)c(F)c3)no2)cc1
InChIInChI=1S/C22H23FN4O3/c1-14-5-9-17(10-6-14)29-13-20-25-21(26-30-20)19-4-3-11-27(19)22(28)24-16-8-7-15(2)18(23)12-16/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,24,28)
InChIKeyBUACQOITIMHUKV-UHFFFAOYSA-N
XLogP4.77
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide (CID 91909857) is N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide is Cc1ccc(OCc2nc(C3CCCN3C(=O)Nc3ccc(C)c(F)c3)no2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is BUACQOITIMHUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14-5-9-17(10-6-14)29-13-20-25-21(26-30-20)19-4-3-11-27(19)22(28)24-16-8-7-15(2)18(23)12-16/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,24,28).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide?
N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 91909857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).