N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide

C24H27Cl2N3O2 — CID 22115349

IUPACN-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide
SMILESCC1=CN(CC(=O)NCC2CCN(Cc3ccc(Cl)c(Cl)c3)C2)C(c2ccccc2)O1
InChIInChI=1S/C24H27Cl2N3O2/c1-17-13-29(24(31-17)20-5-3-2-4-6-20)16-23(30)27-12-19-9-10-28(15-19)14-18-7-8-21(25)22(26)11-18/h2-8,11,13,19,24H,9-10,12,14-16H2,1H3,(H,27,30)
InChIKeyJYGRKHZNCKQFKE-UHFFFAOYSA-N
MW460.41 g/mol
LogP4.82
Rot. Bonds7

About N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide

N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide (PubChem CID 22115349) has the molecular formula C24H27Cl2N3O2 and a molecular weight of 460.41 g/mol. Its IUPAC name is N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide
PubChem CID22115349
Molecular FormulaC24H27Cl2N3O2
Molecular Weight460.41 g/mol
Exact Mass459.15
IUPAC NameN-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide
SMILESCC1=CN(CC(=O)NCC2CCN(Cc3ccc(Cl)c(Cl)c3)C2)C(c2ccccc2)O1
InChIInChI=1S/C24H27Cl2N3O2/c1-17-13-29(24(31-17)20-5-3-2-4-6-20)16-23(30)27-12-19-9-10-28(15-19)14-18-7-8-21(25)22(26)11-18/h2-8,11,13,19,24H,9-10,12,14-16H2,1H3,(H,27,30)
InChIKeyJYGRKHZNCKQFKE-UHFFFAOYSA-N
XLogP4.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 22115368
N-[[4-[(3,4-dichlorophenyl)methyl]-1,4-oxazepan-6-yl]methyl]-2-phenylacetamide
CID 10024349
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 129367742
1-(1-benzylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1-ethylthiourea
CID 23931715
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(3-phenylpyrazol-1-yl)acetamide
CID 22115333
1-benzyl-3-[[4-[(3,4-dichlorophenyl)methyl]-1-oxo-1,4-thiazinan-2-yl]methyl]urea
CID 10321004
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
1-(1-benzylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1-ethylurea
CID 53234320

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide?
The IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide (CID 22115349) is N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide?
The canonical SMILES for N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide is CC1=CN(CC(=O)NCC2CCN(Cc3ccc(Cl)c(Cl)c3)C2)C(c2ccccc2)O1.
What is the InChIKey of N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide?
The InChIKey is JYGRKHZNCKQFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O2/c1-17-13-29(24(31-17)20-5-3-2-4-6-20)16-23(30)27-12-19-9-10-28(15-19)14-18-7-8-21(25)22(26)11-18/h2-8,11,13,19,24H,9-10,12,14-16H2,1H3,(H,27,30).
What are the key properties of N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide?
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide has a molecular weight of 460.41 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(5-methyl-2-phenyl-2H-1,3-oxazol-3-yl)acetamide is sourced from PubChem (CID 22115349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).