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

C12H11FN2O2 — CID 104600341

IUPAC2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2ccno2)c1F
InChIInChI=1S/C12H11FN2O2/c1-8-3-2-4-10(11(8)13)12(16)14-7-9-5-6-15-17-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeyWNBMPKZFZWHCME-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.05
Rot. Bonds3

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

2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide (PubChem CID 104600341) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
PubChem CID104600341
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2ccno2)c1F
InChIInChI=1S/C12H11FN2O2/c1-8-3-2-4-10(11(8)13)12(16)14-7-9-5-6-15-17-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeyWNBMPKZFZWHCME-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

2-fluoro-3-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 80718180
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106423060
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098
N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
CID 106423406
2-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 106423000
3-(2,2-dimethylpropylamino)-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 75472679
5-bromo-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600436
2-methyl-N-(1,2-oxazol-5-ylmethyl)-5-sulfanylbenzamide
CID 114186980
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 104600464
2-amino-4,5-difluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185706
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745
2-amino-5-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114185707

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide (CID 104600341) is 2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide is Cc1cccc(C(=O)NCc2ccno2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
The InChIKey is WNBMPKZFZWHCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-8-3-2-4-10(11(8)13)12(16)14-7-9-5-6-15-17-9/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide?
2-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 2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide is sourced from PubChem (CID 104600341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).