fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate

C6H6FNO3 — CID 143169030

IUPACfluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OF)o1
InChIInChI=1S/C6H6FNO3/c1-3-5(6(9)11-7)10-4(2)8-3/h1-2H3
InChIKeyGHWURPCZPSKERM-UHFFFAOYSA-N
MW159.12 g/mol
LogP1.33
Rot. Bonds1

About fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate

fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate (PubChem CID 143169030) has the molecular formula C6H6FNO3 and a molecular weight of 159.12 g/mol. Its IUPAC name is fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namefluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate
PubChem CID143169030
Molecular FormulaC6H6FNO3
Molecular Weight159.12 g/mol
Exact Mass159.03
IUPAC Namefluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OF)o1
InChIInChI=1S/C6H6FNO3/c1-3-5(6(9)11-7)10-4(2)8-3/h1-2H3
InChIKeyGHWURPCZPSKERM-UHFFFAOYSA-N
XLogP1.33
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl-1,3-oxazole-5-carboxylic acid
CID 1132979
Ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
CID 315151
2-Ethyl-4-methyl-1,3-oxazole-5-carboxylic acid
CID 13835298
2,4-Dimethyl-oxazole-5-carbaldehyde
CID 10606742
Ethyl 2-bromo-4-methyl-1,3-oxazole-5-carboxylate
CID 12785854
Ethyl 2-bromo-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 53403202
2-Cyclopropyl-4-methyl-1,3-oxazole-5-carboxylic acid
CID 64982640
4-Methyl-2-(propan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 64982642
2-(Cyclopropylmethyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 65711231
2-Bromo-4-methyl-1,3-oxazole-5-carboxylic acid
CID 70529178
4-Methyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 71742098
4-Ethyl-2-methyl-1,3-oxazole-5-carboxylic acid
CID 71775635

Frequently Asked Questions

What is the IUPAC name of fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate?
The IUPAC name of fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate (CID 143169030) is fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate is Cc1nc(C)c(C(=O)OF)o1.
What is the InChIKey of fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate?
The InChIKey is GHWURPCZPSKERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3/c1-3-5(6(9)11-7)10-4(2)8-3/h1-2H3.
What are the key properties of fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate?
fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate has a molecular weight of 159.12 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2,4-dimethyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 143169030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).