N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide

C8H11FN2O2 — CID 134321109

IUPACN-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)F)c(C)o1
InChIInChI=1S/C8H11FN2O2/c1-4-7(11-6(3)13-4)8(12)10-5(2)9/h5H,1-3H3,(H,10,12)
InChIKeyWBAXFZLBQHZQRM-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.34
Rot. Bonds2

About N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide

N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide (PubChem CID 134321109) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
PubChem CID134321109
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC NameN-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)F)c(C)o1
InChIInChI=1S/C8H11FN2O2/c1-4-7(11-6(3)13-4)8(12)10-5(2)9/h5H,1-3H3,(H,10,12)
InChIKeyWBAXFZLBQHZQRM-UHFFFAOYSA-N
XLogP1.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide (CID 134321109) is N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NC(C)F)c(C)o1.
What is the InChIKey of N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
The InChIKey is WBAXFZLBQHZQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-4-7(11-6(3)13-4)8(12)10-5(2)9/h5H,1-3H3,(H,10,12).
What are the key properties of N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide?
N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide has a molecular weight of 186.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroethyl)-2,5-dimethyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 134321109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).