3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C16H18FN3O3 — CID 113119233

IUPAC3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)on1)Cc1ccccc1F
InChIInChI=1S/C16H18FN3O3/c1-11-9-15(19-23-11)18-16(22)7-8-20(12(2)21)10-13-5-3-4-6-14(13)17/h3-6,9H,7-8,10H2,1-2H3,(H,18,19,22)
InChIKeySVXDMKXNGNAPKU-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.50
Rot. Bonds6

About 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 113119233) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID113119233
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)on1)Cc1ccccc1F
InChIInChI=1S/C16H18FN3O3/c1-11-9-15(19-23-11)18-16(22)7-8-20(12(2)21)10-13-5-3-4-6-14(13)17/h3-6,9H,7-8,10H2,1-2H3,(H,18,19,22)
InChIKeySVXDMKXNGNAPKU-UHFFFAOYSA-N
XLogP2.50
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113121052
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118715
3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118178
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113119173
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-acetylphenyl)propanamide
CID 113119196
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-bromophenyl)propanamide
CID 113119208
3-(2-fluorophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 110614533
3-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113116105
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-tert-butylphenyl)propanamide
CID 113119165
3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113115709
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
CID 113119222
3-[acetyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113117245

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 113119233) is 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CC(=O)N(CCC(=O)Nc1cc(C)on1)Cc1ccccc1F.
What is the InChIKey of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is SVXDMKXNGNAPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-11-9-15(19-23-11)18-16(22)7-8-20(12(2)21)10-13-5-3-4-6-14(13)17/h3-6,9H,7-8,10H2,1-2H3,(H,18,19,22).
What are the key properties of 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 319.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 113119233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).