N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide

C13H14FN3O2 — CID 108997916

IUPACN-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
SMILESCc1cc(NCC(=O)NCc2ccc(F)cc2)no1
InChIInChI=1S/C13H14FN3O2/c1-9-6-12(17-19-9)15-8-13(18)16-7-10-2-4-11(14)5-3-10/h2-6H,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyJACJNXMJCDQVDU-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.85
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide

N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide (PubChem CID 108997916) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
PubChem CID108997916
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
SMILESCc1cc(NCC(=O)NCc2ccc(F)cc2)no1
InChIInChI=1S/C13H14FN3O2/c1-9-6-12(17-19-9)15-8-13(18)16-7-10-2-4-11(14)5-3-10/h2-6H,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyJACJNXMJCDQVDU-UHFFFAOYSA-N
XLogP1.85
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47729327
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 6487759
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
6-[(4-fluorophenyl)methylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109369846
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-pentylacetamide
CID 109006112
2-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109011324
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112992587
N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 3153701

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide (CID 108997916) is N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide is Cc1cc(NCC(=O)NCc2ccc(F)cc2)no1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide?
The InChIKey is JACJNXMJCDQVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-9-6-12(17-19-9)15-8-13(18)16-7-10-2-4-11(14)5-3-10/h2-6H,7-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide has a molecular weight of 263.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide is sourced from PubChem (CID 108997916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).