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

C13H14FN3O2 — CID 55137012

IUPAC2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(F)cc2N)no1
InChIInChI=1S/C13H14FN3O2/c1-8-5-10(16-19-8)7-17(2)13(18)11-4-3-9(14)6-12(11)15/h3-6H,7,15H2,1-2H3
InChIKeyUKNLHENVONENQR-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.98
Rot. Bonds3

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

2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (PubChem CID 55137012) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
PubChem CID55137012
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
SMILESCc1cc(CN(C)C(=O)c2ccc(F)cc2N)no1
InChIInChI=1S/C13H14FN3O2/c1-8-5-10(16-19-8)7-17(2)13(18)11-4-3-9(14)6-12(11)15/h3-6H,7,15H2,1-2H3
InChIKeyUKNLHENVONENQR-UHFFFAOYSA-N
XLogP1.98
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 63110385
3-amino-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 43587238
5-amino-2-fluoro-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 103295980
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
2-(4-fluorophenyl)sulfanyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86929156
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
N-(2-amino-5-fluorophenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 43612145
5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38881006
2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
CID 61292900
2,3-dimethoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38872569
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride
CID 119729329

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The IUPAC name of 2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide (CID 55137012) is 2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is Cc1cc(CN(C)C(=O)c2ccc(F)cc2N)no1.
What is the InChIKey of 2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
The InChIKey is UKNLHENVONENQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-8-5-10(16-19-8)7-17(2)13(18)11-4-3-9(14)6-12(11)15/h3-6H,7,15H2,1-2H3.
What are the key properties of 2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide?
2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide has a molecular weight of 263.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide is sourced from PubChem (CID 55137012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).