N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide

C26H26FN3O3 — CID 45244700

IUPACN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1cccc(Cc2nnc(CCC(=O)NCCC(c3ccc(F)cc3)c3ccco3)o2)c1
InChIInChI=1S/C26H26FN3O3/c1-18-4-2-5-19(16-18)17-26-30-29-25(33-26)12-11-24(31)28-14-13-22(23-6-3-15-32-23)20-7-9-21(27)10-8-20/h2-10,15-16,22H,11-14,17H2,1H3,(H,28,31)
InChIKeyJVRKUVBLVCPDOK-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.97
Rot. Bonds10

About N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide

N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 45244700) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID45244700
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC NameN-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1cccc(Cc2nnc(CCC(=O)NCCC(c3ccc(F)cc3)c3ccco3)o2)c1
InChIInChI=1S/C26H26FN3O3/c1-18-4-2-5-19(16-18)17-26-30-29-25(33-26)12-11-24(31)28-14-13-22(23-6-3-15-32-23)20-7-9-21(27)10-8-20/h2-10,15-16,22H,11-14,17H2,1H3,(H,28,31)
InChIKeyJVRKUVBLVCPDOK-UHFFFAOYSA-N
XLogP4.97
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 45244700) is N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is Cc1cccc(Cc2nnc(CCC(=O)NCCC(c3ccc(F)cc3)c3ccco3)o2)c1.
What is the InChIKey of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is JVRKUVBLVCPDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-18-4-2-5-19(16-18)17-26-30-29-25(33-26)12-11-24(31)28-14-13-22(23-6-3-15-32-23)20-7-9-21(27)10-8-20/h2-10,15-16,22H,11-14,17H2,1H3,(H,28,31).
What are the key properties of N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 447.51 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 45244700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).