N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide

C14H13F3N2O2 — CID 110718765

IUPACN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide
SMILESCc1nc(C)c(CCNC(=O)c2ccc(F)c(F)c2F)o1
InChIInChI=1S/C14H13F3N2O2/c1-7-11(21-8(2)19-7)5-6-18-14(20)9-3-4-10(15)13(17)12(9)16/h3-4H,5-6H2,1-2H3,(H,18,20)
InChIKeyRFTKZOZKIPGLSV-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide

N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide (PubChem CID 110718765) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide
PubChem CID110718765
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC NameN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide
SMILESCc1nc(C)c(CCNC(=O)c2ccc(F)c(F)c2F)o1
InChIInChI=1S/C14H13F3N2O2/c1-7-11(21-8(2)19-7)5-6-18-14(20)9-3-4-10(15)13(17)12(9)16/h3-4H,5-6H2,1-2H3,(H,18,20)
InChIKeyRFTKZOZKIPGLSV-UHFFFAOYSA-N
XLogP2.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138
2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321450
2,3,4-trifluoro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110666512
ethyl N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]carbamate
CID 108574418
2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318351
2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110671218
N-[2-[(3,4-dimethylbenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108542898
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,6-dimethoxybenzamide
CID 110718737
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 122293406
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
2,3,4-trifluoro-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321334
2,3,4-trifluoro-N-[2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395471

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide (CID 110718765) is N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide is Cc1nc(C)c(CCNC(=O)c2ccc(F)c(F)c2F)o1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide?
The InChIKey is RFTKZOZKIPGLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-7-11(21-8(2)19-7)5-6-18-14(20)9-3-4-10(15)13(17)12(9)16/h3-4H,5-6H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide?
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide has a molecular weight of 298.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 110718765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).