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

C7H9FN2O2 — CID 130662841

IUPACN-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCCF
InChIInChI=1S/C7H9FN2O2/c1-5-4-10-12-6(5)7(11)9-3-2-8/h4H,2-3H2,1H3,(H,9,11)
InChIKeyCRIWPTOBYONFPZ-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.68
Rot. Bonds3

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

N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 130662841) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID130662841
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC NameN-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCCF
InChIInChI=1S/C7H9FN2O2/c1-5-4-10-12-6(5)7(11)9-3-2-8/h4H,2-3H2,1H3,(H,9,11)
InChIKeyCRIWPTOBYONFPZ-UHFFFAOYSA-N
XLogP0.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 130662841) is N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is CRIWPTOBYONFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-5-4-10-12-6(5)7(11)9-3-2-8/h4H,2-3H2,1H3,(H,9,11).
What are the key properties of N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 172.16 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 130662841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).