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

C14H16FN3O2 — CID 106388191

IUPAC4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide
SMILESCc1cnc(C(C)NCc2cc(C(N)=O)ccc2F)o1
InChIInChI=1S/C14H16FN3O2/c1-8-6-18-14(20-8)9(2)17-7-11-5-10(13(16)19)3-4-12(11)15/h3-6,9,17H,7H2,1-2H3,(H2,16,19)
InChIKeyJMEIFXOXBMATEK-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.07
Rot. Bonds5

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

4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide (PubChem CID 106388191) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide
PubChem CID106388191
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide
SMILESCc1cnc(C(C)NCc2cc(C(N)=O)ccc2F)o1
InChIInChI=1S/C14H16FN3O2/c1-8-6-18-14(20-8)9(2)17-7-11-5-10(13(16)19)3-4-12(11)15/h3-6,9,17H,7H2,1-2H3,(H2,16,19)
InChIKeyJMEIFXOXBMATEK-UHFFFAOYSA-N
XLogP2.07
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
3-[(but-3-yn-2-ylamino)methyl]-4-fluorobenzamide
CID 114416954
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 43199134
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893765
4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
CID 81352971
4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 79249549
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
CID 43199111
N-[(2-bromo-4-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113347390
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893749
4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide
CID 61469454
N-[(2-bromo-4-methylphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 113365422
4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide
CID 62996754

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide?
The IUPAC name of 4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide (CID 106388191) is 4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide is Cc1cnc(C(C)NCc2cc(C(N)=O)ccc2F)o1.
What is the InChIKey of 4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide?
The InChIKey is JMEIFXOXBMATEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8-6-18-14(20-8)9(2)17-7-11-5-10(13(16)19)3-4-12(11)15/h3-6,9,17H,7H2,1-2H3,(H2,16,19).
What are the key properties of 4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide?
4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide has a molecular weight of 277.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]benzamide is sourced from PubChem (CID 106388191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).