ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate

C14H13FN2O4 — CID 2774357

IUPACethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C)c1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H13FN2O4/c1-3-20-14(19)12-11(8(2)21-17-12)13(18)16-10-6-4-5-9(15)7-10/h4-7H,3H2,1-2H3,(H,16,18)
InChIKeyIHAMDCHMFNDUJF-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.55
Rot. Bonds4

About ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate

ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate (PubChem CID 2774357) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate
PubChem CID2774357
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Nameethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C)c1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H13FN2O4/c1-3-20-14(19)12-11(8(2)21-17-12)13(18)16-10-6-4-5-9(15)7-10/h4-7H,3H2,1-2H3,(H,16,18)
InChIKeyIHAMDCHMFNDUJF-UHFFFAOYSA-N
XLogP2.55
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate (CID 2774357) is ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(C)c1C(=O)Nc1cccc(F)c1.
What is the InChIKey of ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate?
The InChIKey is IHAMDCHMFNDUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-3-20-14(19)12-11(8(2)21-17-12)13(18)16-10-6-4-5-9(15)7-10/h4-7H,3H2,1-2H3,(H,16,18).
What are the key properties of ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate?
ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 292.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-fluorophenyl)carbamoyl]-5-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 2774357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).