N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide

C12H11FN2O3 — CID 135350589

IUPACN-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)c1ccno1
InChIInChI=1S/C12H11FN2O3/c1-2-17-11-7-8(13)3-4-9(11)15-12(16)10-5-6-14-18-10/h3-7H,2H2,1H3,(H,15,16)
InChIKeyFDDMRWBZWQHNRG-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.46
Rot. Bonds4

About N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide

N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 135350589) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID135350589
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESCCOc1cc(F)ccc1NC(=O)c1ccno1
InChIInChI=1S/C12H11FN2O3/c1-2-17-11-7-8(13)3-4-9(11)15-12(16)10-5-6-14-18-10/h3-7H,2H2,1H3,(H,15,16)
InChIKeyFDDMRWBZWQHNRG-UHFFFAOYSA-N
XLogP2.46
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide (CID 135350589) is N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide is CCOc1cc(F)ccc1NC(=O)c1ccno1.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is FDDMRWBZWQHNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-2-17-11-7-8(13)3-4-9(11)15-12(16)10-5-6-14-18-10/h3-7H,2H2,1H3,(H,15,16).
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide?
N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 250.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 135350589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).