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

C15H15Cl2FN2O2 — CID 112764288

IUPACN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)NC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2FN2O2/c1-4-13-14(8(3)20-22-13)15(21)19-7(2)9-5-12(18)11(17)6-10(9)16/h5-7H,4H2,1-3H3,(H,19,21)
InChIKeyLBQVQBHVEWEWMX-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.48
Rot. Bonds4

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

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 112764288) has the molecular formula C15H15Cl2FN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID112764288
Molecular FormulaC15H15Cl2FN2O2
Molecular Weight345.20 g/mol
Exact Mass344.05
IUPAC NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1onc(C)c1C(=O)NC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2FN2O2/c1-4-13-14(8(3)20-22-13)15(21)19-7(2)9-5-12(18)11(17)6-10(9)16/h5-7H,4H2,1-3H3,(H,19,21)
InChIKeyLBQVQBHVEWEWMX-UHFFFAOYSA-N
XLogP4.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 112764235
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide
CID 112799664
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112844831
N-[2-(2,4-dichlorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112790704
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51150886
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9093210
1-tert-butyl-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylpyrazole-3-carboxamide
CID 112834271
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]acetamide
CID 9187304
N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9232204
1-butyl-3-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-methylurea
CID 112831917
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 43226363
1-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 55738906

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide (CID 112764288) is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide is CCc1onc(C)c1C(=O)NC(C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LBQVQBHVEWEWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2O2/c1-4-13-14(8(3)20-22-13)15(21)19-7(2)9-5-12(18)11(17)6-10(9)16/h5-7H,4H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide?
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 112764288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).