N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide

C13H15FN2O2 — CID 53017138

IUPACN-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide
SMILESCC1=NOC(C)(CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H15FN2O2/c1-9-7-13(2,18-16-9)8-15-12(17)10-3-5-11(14)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,17)
InChIKeyCESRZQHHMLZTSM-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.11
Rot. Bonds3

About N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide

N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide (PubChem CID 53017138) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide
PubChem CID53017138
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide
SMILESCC1=NOC(C)(CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H15FN2O2/c1-9-7-13(2,18-16-9)8-15-12(17)10-3-5-11(14)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,17)
InChIKeyCESRZQHHMLZTSM-UHFFFAOYSA-N
XLogP2.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide
CID 95052038
N-[[(5R)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide
CID 95052037
2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide
CID 95052080
N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide
CID 53017164
5-acetyl-N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 50974704
N-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methyl]-4-fluorobenzamide
CID 11339313
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-fluorobenzamide;hydrochloride
CID 21409921
4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359272
N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 50976082
(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
CID 22121131
4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484978
4-fluoro-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]benzamide
CID 131702305

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide (CID 53017138) is N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide is CC1=NOC(C)(CNC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide?
The InChIKey is CESRZQHHMLZTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9-7-13(2,18-16-9)8-15-12(17)10-3-5-11(14)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide?
N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide has a molecular weight of 250.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 53017138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).