N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide

C24H27N3O3 — CID 70330309

IUPACN-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide
SMILESCN(CCc1ccccc1)C(=O)CCC(=O)NCc1nc(Cc2ccccc2)co1
InChIInChI=1S/C24H27N3O3/c1-27(15-14-19-8-4-2-5-9-19)24(29)13-12-22(28)25-17-23-26-21(18-30-23)16-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,25,28)
InChIKeyFGQDMPGBSTWWFP-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.36
Rot. Bonds10

About N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide

N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide (PubChem CID 70330309) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide.

Molecular Properties

Compound NameN-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide
PubChem CID70330309
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide
SMILESCN(CCc1ccccc1)C(=O)CCC(=O)NCc1nc(Cc2ccccc2)co1
InChIInChI=1S/C24H27N3O3/c1-27(15-14-19-8-4-2-5-9-19)24(29)13-12-22(28)25-17-23-26-21(18-30-23)16-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,25,28)
InChIKeyFGQDMPGBSTWWFP-UHFFFAOYSA-N
XLogP3.36
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide?
The IUPAC name of N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide (CID 70330309) is N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide.
What is the SMILES notation for N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide?
The canonical SMILES for N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide is CN(CCc1ccccc1)C(=O)CCC(=O)NCc1nc(Cc2ccccc2)co1.
What is the InChIKey of N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide?
The InChIKey is FGQDMPGBSTWWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-27(15-14-19-8-4-2-5-9-19)24(29)13-12-22(28)25-17-23-26-21(18-30-23)16-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,25,28).
What are the key properties of N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide?
N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide has a molecular weight of 405.50 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzyl-1,3-oxazol-2-yl)methyl]-N'-methyl-N'-(2-phenylethyl)butanediamide is sourced from PubChem (CID 70330309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).