3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide

C29H26FN5O3 — CID 58990165

IUPAC3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide
SMILESCC(NC(=O)c1cc(-c2ncco2)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)c1ccc(F)cc1
InChIInChI=1S/C29H26FN5O3/c1-18(20-8-10-24(30)11-9-20)33-25(36)21-14-22(26-32-12-13-37-26)16-23(15-21)27-34-35-28(38-27)29(2,31)17-19-6-4-3-5-7-19/h3-16,18H,17,31H2,1-2H3,(H,33,36)/t18?,29-/m1/s1
InChIKeyIMMAXRTXTCCVKV-DMIDXSHCSA-N
MW511.56 g/mol
LogP5.44
Rot. Bonds8

About 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide

3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide (PubChem CID 58990165) has the molecular formula C29H26FN5O3 and a molecular weight of 511.56 g/mol. Its IUPAC name is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide
PubChem CID58990165
Molecular FormulaC29H26FN5O3
Molecular Weight511.56 g/mol
Exact Mass511.20
IUPAC Name3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide
SMILESCC(NC(=O)c1cc(-c2ncco2)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)c1ccc(F)cc1
InChIInChI=1S/C29H26FN5O3/c1-18(20-8-10-24(30)11-9-20)33-25(36)21-14-22(26-32-12-13-37-26)16-23(15-21)27-34-35-28(38-27)29(2,31)17-19-6-4-3-5-7-19/h3-16,18H,17,31H2,1-2H3,(H,33,36)/t18?,29-/m1/s1
InChIKeyIMMAXRTXTCCVKV-DMIDXSHCSA-N
XLogP5.44
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.56
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide?
The IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide (CID 58990165) is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide?
The canonical SMILES for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide is CC(NC(=O)c1cc(-c2ncco2)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)c1ccc(F)cc1.
What is the InChIKey of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide?
The InChIKey is IMMAXRTXTCCVKV-DMIDXSHCSA-N. The full InChI is InChI=1S/C29H26FN5O3/c1-18(20-8-10-24(30)11-9-20)33-25(36)21-14-22(26-32-12-13-37-26)16-23(15-21)27-34-35-28(38-27)29(2,31)17-19-6-4-3-5-7-19/h3-16,18H,17,31H2,1-2H3,(H,33,36)/t18?,29-/m1/s1.
What are the key properties of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide?
3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide has a molecular weight of 511.56 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[1-(4-fluorophenyl)ethyl]-5-(1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 58990165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).