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

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18167213
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-(1,3-benzothiazol-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 39703940
N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119399175
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide
CID 55690441
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 39957558
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777

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).