N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide

C30H30FN3O2 — CID 10163049

IUPACN-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1cnoc1-c1ccc(F)cc1)N(Cc1ccccc1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C30H30FN3O2/c31-27-14-11-25(12-15-27)30-26(19-32-36-30)13-16-29(35)34(21-24-9-5-2-6-10-24)28-17-18-33(22-28)20-23-7-3-1-4-8-23/h1-12,14-15,19,28H,13,16-18,20-22H2
InChIKeyMLRKPUDGSQIBMV-UHFFFAOYSA-N
MW483.59 g/mol
LogP5.72
Rot. Bonds9

About N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide

N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 10163049) has the molecular formula C30H30FN3O2 and a molecular weight of 483.59 g/mol. Its IUPAC name is N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID10163049
Molecular FormulaC30H30FN3O2
Molecular Weight483.59 g/mol
Exact Mass483.23
IUPAC NameN-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESO=C(CCc1cnoc1-c1ccc(F)cc1)N(Cc1ccccc1)C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C30H30FN3O2/c31-27-14-11-25(12-15-27)30-26(19-32-36-30)13-16-29(35)34(21-24-9-5-2-6-10-24)28-17-18-33(22-28)20-23-7-3-1-4-8-23/h1-12,14-15,19,28H,13,16-18,20-22H2
InChIKeyMLRKPUDGSQIBMV-UHFFFAOYSA-N
XLogP5.72
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (CID 10163049) is N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is O=C(CCc1cnoc1-c1ccc(F)cc1)N(Cc1ccccc1)C1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is MLRKPUDGSQIBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O2/c31-27-14-11-25(12-15-27)30-26(19-32-36-30)13-16-29(35)34(21-24-9-5-2-6-10-24)28-17-18-33(22-28)20-23-7-3-1-4-8-23/h1-12,14-15,19,28H,13,16-18,20-22H2.
What are the key properties of N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 483.59 g/mol, XLogP of 5.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-benzylpyrrolidin-3-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 10163049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).