N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide

C23H26FN3O2 — CID 10222328

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)CCc1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O2/c1-26(2)14-15-27(17-18-6-4-3-5-7-18)22(28)13-10-20-16-25-29-23(20)19-8-11-21(24)12-9-19/h3-9,11-12,16H,10,13-15,17H2,1-2H3
InChIKeyJILPGAMFSMKTCM-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.00
Rot. Bonds9

About N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide

N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 10222328) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID10222328
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)CCc1cnoc1-c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O2/c1-26(2)14-15-27(17-18-6-4-3-5-7-18)22(28)13-10-20-16-25-29-23(20)19-8-11-21(24)12-9-19/h3-9,11-12,16H,10,13-15,17H2,1-2H3
InChIKeyJILPGAMFSMKTCM-UHFFFAOYSA-N
XLogP4.00
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide (CID 10222328) is N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is CN(C)CCN(Cc1ccccc1)C(=O)CCc1cnoc1-c1ccc(F)cc1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is JILPGAMFSMKTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-26(2)14-15-27(17-18-6-4-3-5-7-18)22(28)13-10-20-16-25-29-23(20)19-8-11-21(24)12-9-19/h3-9,11-12,16H,10,13-15,17H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 395.48 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 10222328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).