N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide

C19H17FN2O3 — CID 110680866

IUPACN-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O3/c1-22-17(16(19(24)25-22)14-5-3-2-4-6-14)18(23)21-12-11-13-7-9-15(20)10-8-13/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyZHUODKPVIDWPFW-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 110680866) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
PubChem CID110680866
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O3/c1-22-17(16(19(24)25-22)14-5-3-2-4-6-14)18(23)21-12-11-13-7-9-15(20)10-8-13/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyZHUODKPVIDWPFW-UHFFFAOYSA-N
XLogP2.76
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680924
N-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680910
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 154775706
2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 21463261
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]ethyl]acetamide
CID 111135561
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
N-[2-(4-fluorophenyl)ethyl]-2-oxochromene-3-carboxamide
CID 1244317
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (CID 110680866) is N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is Cn1oc(=O)c(-c2ccccc2)c1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZHUODKPVIDWPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-22-17(16(19(24)25-22)14-5-3-2-4-6-14)18(23)21-12-11-13-7-9-15(20)10-8-13/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110680866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).