3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

C30H31N3O2 — CID 46493556

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C30H31N3O2/c34-27(31-22-26(33-20-10-11-21-33)23-12-4-1-5-13-23)18-19-28-32-29(24-14-6-2-7-15-24)30(35-28)25-16-8-3-9-17-25/h1-9,12-17,26H,10-11,18-22H2,(H,31,34)
InChIKeyLMWVXDPLKMWDIU-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.89
Rot. Bonds9

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 46493556) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
PubChem CID46493556
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C30H31N3O2/c34-27(31-22-26(33-20-10-11-21-33)23-12-4-1-5-13-23)18-19-28-32-29(24-14-6-2-7-15-24)30(35-28)25-16-8-3-9-17-25/h1-9,12-17,26H,10-11,18-22H2,(H,31,34)
InChIKeyLMWVXDPLKMWDIU-UHFFFAOYSA-N
XLogP5.89
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24544215
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55686853
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46493557
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 86981056
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 42936730
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
CID 124846032
3-(3-oxo-1,2-oxazol-5-yl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]propanamide
CID 125177253
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 55925379
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 74231388
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide (CID 46493556) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is LMWVXDPLKMWDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c34-27(31-22-26(33-20-10-11-21-33)23-12-4-1-5-13-23)18-19-28-32-29(24-14-6-2-7-15-24)30(35-28)25-16-8-3-9-17-25/h1-9,12-17,26H,10-11,18-22H2,(H,31,34).
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide?
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 465.60 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 46493556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).