ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate

C15H13ClFN3O5 — CID 15582695

IUPACethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1NC(=O)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H13ClFN3O5/c1-3-24-14(22)11-13(25-7(2)18-11)20-15(23)19-12(21)10-8(16)5-4-6-9(10)17/h4-6H,3H2,1-2H3,(H2,19,20,21,23)
InChIKeyLIINOTVCFAVPLH-UHFFFAOYSA-N
MW369.74 g/mol
LogP2.91
Rot. Bonds4

About ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate

ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate (PubChem CID 15582695) has the molecular formula C15H13ClFN3O5 and a molecular weight of 369.74 g/mol. Its IUPAC name is ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate
PubChem CID15582695
Molecular FormulaC15H13ClFN3O5
Molecular Weight369.74 g/mol
Exact Mass369.05
IUPAC Nameethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)oc1NC(=O)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C15H13ClFN3O5/c1-3-24-14(22)11-13(25-7(2)18-11)20-15(23)19-12(21)10-8(16)5-4-6-9(10)17/h4-6H,3H2,1-2H3,(H2,19,20,21,23)
InChIKeyLIINOTVCFAVPLH-UHFFFAOYSA-N
XLogP2.91
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.74
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108739440
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461
ethyl (2S,3R)-3-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoate
CID 124854483
ethyl 4-[[2-[(2-chloro-6-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 113000785
ethyl 6-(benzoylcarbamoylamino)-2-methyl-4-sulfanylidene-1,3-oxazine-5-carboxylate
CID 10594735
2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
CID 13242696
ethyl 2,6-difluorobenzoate
CID 519631
2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
CID 13242717
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
2-chloro-6-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318346
ethyl 2-(2-chloro-6-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526266
2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide
CID 2780073

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate (CID 15582695) is ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(C)oc1NC(=O)NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate?
The InChIKey is LIINOTVCFAVPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O5/c1-3-24-14(22)11-13(25-7(2)18-11)20-15(23)19-12(21)10-8(16)5-4-6-9(10)17/h4-6H,3H2,1-2H3,(H2,19,20,21,23).
What are the key properties of ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate?
ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate has a molecular weight of 369.74 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 15582695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).