N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

C14H15FN2O2 — CID 51073091

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cc(C)on1
InChIInChI=1S/C14H15FN2O2/c1-3-17(9-11-5-4-6-12(15)8-11)14(18)13-7-10(2)19-16-13/h4-8H,3,9H2,1-2H3
InChIKeyUACGDBVMNWDVJE-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.78
Rot. Bonds4

About N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 51073091) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID51073091
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1cc(C)on1
InChIInChI=1S/C14H15FN2O2/c1-3-17(9-11-5-4-6-12(15)8-11)14(18)13-7-10(2)19-16-13/h4-8H,3,9H2,1-2H3
InChIKeyUACGDBVMNWDVJE-UHFFFAOYSA-N
XLogP2.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-2H-triazole-4-carboxamide
CID 47335109
N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 51189967
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methylfuran-2-carboxamide
CID 134041307
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
5-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624921
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
N-(2-bromoethyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 80660169
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46534337
3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518452

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 51073091) is N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is CCN(Cc1cccc(F)c1)C(=O)c1cc(C)on1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is UACGDBVMNWDVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-17(9-11-5-4-6-12(15)8-11)14(18)13-7-10(2)19-16-13/h4-8H,3,9H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51073091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).