N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

C22H21FN2O4 — CID 51929338

IUPACN-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESC[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H21FN2O4/c1-14(16-4-7-18-19(12-16)28-11-10-27-18)25-21(26)8-9-22-24-13-20(29-22)15-2-5-17(23)6-3-15/h2-7,12-14H,8-11H2,1H3,(H,25,26)/t14-/m0/s1
InChIKeySQARJEOAUCXVCX-AWEZNQCLSA-N
MW396.42 g/mol
LogP4.06
Rot. Bonds6

About N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide

N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 51929338) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID51929338
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC NameN-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
SMILESC[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H21FN2O4/c1-14(16-4-7-18-19(12-16)28-11-10-27-18)25-21(26)8-9-22-24-13-20(29-22)15-2-5-17(23)6-3-15/h2-7,12-14H,8-11H2,1H3,(H,25,26)/t14-/m0/s1
InChIKeySQARJEOAUCXVCX-AWEZNQCLSA-N
XLogP4.06
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
N-[4-[1-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 43058094
N-(1-phenylethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784776
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 51312428
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 99866264
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 94139427
N-(4-butan-2-ylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16592021
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 134036413
3-(5-phenyl-1,3-oxazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 134010985
N-[2-[di(propan-2-yl)amino]ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18160896
N-[2-(dimethylamino)-3-methylbutyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42940238

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide (CID 51929338) is N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is SQARJEOAUCXVCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21FN2O4/c1-14(16-4-7-18-19(12-16)28-11-10-27-18)25-21(26)8-9-22-24-13-20(29-22)15-2-5-17(23)6-3-15/h2-7,12-14H,8-11H2,1H3,(H,25,26)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide?
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 396.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 51929338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).