N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide

C12H11FN2O2 — CID 110693584

IUPACN-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccno1
InChIInChI=1S/C12H11FN2O2/c13-10-3-1-9(2-4-10)5-7-14-12(16)11-6-8-15-17-11/h1-4,6,8H,5,7H2,(H,14,16)
InChIKeyRWGMDQMPOCKJGR-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.79
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 110693584) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID110693584
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccno1
InChIInChI=1S/C12H11FN2O2/c13-10-3-1-9(2-4-10)5-7-14-12(16)11-6-8-15-17-11/h1-4,6,8H,5,7H2,(H,14,16)
InChIKeyRWGMDQMPOCKJGR-UHFFFAOYSA-N
XLogP1.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-methylpyrazol-3-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
CID 155801056
N-[2-(methylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 62659482
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
5-acetamido-N-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 110699846
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
4-(bromomethyl)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 11131484
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide (CID 110693584) is N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccno1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is RWGMDQMPOCKJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-10-3-1-9(2-4-10)5-7-14-12(16)11-6-8-15-17-11/h1-4,6,8H,5,7H2,(H,14,16).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110693584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).