N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C25H31N3O2 — CID 55686875

IUPACN-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCCN(CC)C(CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-3-28(4-2)22(20-12-7-5-8-13-20)18-26-24(29)16-11-17-25-27-19-23(30-25)21-14-9-6-10-15-21/h5-10,12-15,19,22H,3-4,11,16-18H2,1-2H3,(H,26,29)
InChIKeyROGWIMINHMVJJO-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.86
Rot. Bonds11

About N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 55686875) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID55686875
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCCN(CC)C(CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-3-28(4-2)22(20-12-7-5-8-13-20)18-26-24(29)16-11-17-25-27-19-23(30-25)21-14-9-6-10-15-21/h5-10,12-15,19,22H,3-4,11,16-18H2,1-2H3,(H,26,29)
InChIKeyROGWIMINHMVJJO-UHFFFAOYSA-N
XLogP4.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 55686875) is N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is CCN(CC)C(CNC(=O)CCCc1ncc(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is ROGWIMINHMVJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-3-28(4-2)22(20-12-7-5-8-13-20)18-26-24(29)16-11-17-25-27-19-23(30-25)21-14-9-6-10-15-21/h5-10,12-15,19,22H,3-4,11,16-18H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 405.54 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 55686875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).