N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide

C24H27N3O2 — CID 24718117

IUPACN-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)Cc1c(-c2ccccc2)noc1N1CCCC1
InChIInChI=1S/C24H27N3O2/c1-2-22(28)27(17-19-11-5-3-6-12-19)18-21-23(20-13-7-4-8-14-20)25-29-24(21)26-15-9-10-16-26/h3-8,11-14H,2,9-10,15-18H2,1H3
InChIKeyPIBMMODSGLVCCL-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.88
Rot. Bonds7

About N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide

N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide (PubChem CID 24718117) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide
PubChem CID24718117
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)Cc1c(-c2ccccc2)noc1N1CCCC1
InChIInChI=1S/C24H27N3O2/c1-2-22(28)27(17-19-11-5-3-6-12-19)18-21-23(20-13-7-4-8-14-20)25-29-24(21)26-15-9-10-16-26/h3-8,11-14H,2,9-10,15-18H2,1H3
InChIKeyPIBMMODSGLVCCL-UHFFFAOYSA-N
XLogP4.88
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide?
The IUPAC name of N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide (CID 24718117) is N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide?
The canonical SMILES for N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide is CCC(=O)N(Cc1ccccc1)Cc1c(-c2ccccc2)noc1N1CCCC1.
What is the InChIKey of N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide?
The InChIKey is PIBMMODSGLVCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-22(28)27(17-19-11-5-3-6-12-19)18-21-23(20-13-7-4-8-14-20)25-29-24(21)26-15-9-10-16-26/h3-8,11-14H,2,9-10,15-18H2,1H3.
What are the key properties of N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide?
N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide has a molecular weight of 389.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]propanamide is sourced from PubChem (CID 24718117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).