3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide

C12H12FN3O2 — CID 106423060

IUPAC3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCNc1c(F)cccc1C(=O)NCc1ccno1
InChIInChI=1S/C12H12FN3O2/c1-14-11-9(3-2-4-10(11)13)12(17)15-7-8-5-6-16-18-8/h2-6,14H,7H2,1H3,(H,15,17)
InChIKeyYEQYVSUHQXFSKW-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.79
Rot. Bonds4

About 3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide

3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 106423060) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID106423060
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCNc1c(F)cccc1C(=O)NCc1ccno1
InChIInChI=1S/C12H12FN3O2/c1-14-11-9(3-2-4-10(11)13)12(17)15-7-8-5-6-16-18-8/h2-6,14H,7H2,1H3,(H,15,17)
InChIKeyYEQYVSUHQXFSKW-UHFFFAOYSA-N
XLogP1.79
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098
2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
N-benzyl-3-fluoro-2-(methylamino)benzamide
CID 55100092
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935
N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
CID 64693951
3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62662132
N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
CID 106423406
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 104600458
3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 62661709
3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62660002
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 104600464

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 106423060) is 3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide is CNc1c(F)cccc1C(=O)NCc1ccno1.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is YEQYVSUHQXFSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-14-11-9(3-2-4-10(11)13)12(17)15-7-8-5-6-16-18-8/h2-6,14H,7H2,1H3,(H,15,17).
What are the key properties of 3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide?
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 249.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 106423060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).