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

C12H11FN2O2 — CID 103939745

IUPAC4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCc2ccno2)ccc1F
InChIInChI=1S/C12H11FN2O2/c1-8-6-9(2-3-11(8)13)12(16)14-7-10-4-5-15-17-10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyCDYKVDMBJIOFJN-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.05
Rot. Bonds3

About 4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide

4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 103939745) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID103939745
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCc2ccno2)ccc1F
InChIInChI=1S/C12H11FN2O2/c1-8-6-9(2-3-11(8)13)12(16)14-7-10-4-5-15-17-10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyCDYKVDMBJIOFJN-UHFFFAOYSA-N
XLogP2.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
CID 106422079
2,3-dimethyl-N-(1,2-oxazol-5-ylmethyl)-1H-indole-5-carboxamide
CID 103939765
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
4-fluoro-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79487393
3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413441
2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 103939725
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 106422085

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 103939745) is 4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide is Cc1cc(C(=O)NCc2ccno2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is CDYKVDMBJIOFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-8-6-9(2-3-11(8)13)12(16)14-7-10-4-5-15-17-10/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide has a molecular weight of 234.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 103939745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).