2-(fluoromethyl)-1,3-oxazole-5-carboxamide

C5H5FN2O2 — CID 139330366

IUPAC2-(fluoromethyl)-1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnc(CF)o1
InChIInChI=1S/C5H5FN2O2/c6-1-4-8-2-3(10-4)5(7)9/h2H,1H2,(H2,7,9)
InChIKeyJDLZVFMANFALSI-UHFFFAOYSA-N
MW144.10 g/mol
LogP0.24
Rot. Bonds2

About 2-(fluoromethyl)-1,3-oxazole-5-carboxamide

2-(fluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 139330366) has the molecular formula C5H5FN2O2 and a molecular weight of 144.10 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(fluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID139330366
Molecular FormulaC5H5FN2O2
Molecular Weight144.10 g/mol
Exact Mass144.03
IUPAC Name2-(fluoromethyl)-1,3-oxazole-5-carboxamide
SMILESNC(=O)c1cnc(CF)o1
InChIInChI=1S/C5H5FN2O2/c6-1-4-8-2-3(10-4)5(7)9/h2H,1H2,(H2,7,9)
InChIKeyJDLZVFMANFALSI-UHFFFAOYSA-N
XLogP0.24
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.10
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Oxazole-5-carboxamide
CID 22318809
1-(2-Methyloxazol-5-yl)ethanone
CID 57658745
2-Methyl-1,3-oxazole-5-carbaldehyde
CID 28951068
2-(Trifluoromethyl)-1,3-oxazole-5-carbaldehyde
CID 53403797
2-Ethyl-1,3-oxazole-5-carbaldehyde
CID 53417038
2-(2-Fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde
CID 84763808
1,3-Oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 90040422
(5-Carbamoyl-1,3-oxazol-2-yl) 2,2,2-trifluoroacetate
CID 90040425
2-(Trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 91132062
2-(Difluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330037
N-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 154073475
Fluoro 2-methyl-1,3-oxazole-5-carboxylate
CID 169165960

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(fluoromethyl)-1,3-oxazole-5-carboxamide (CID 139330366) is 2-(fluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(fluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(fluoromethyl)-1,3-oxazole-5-carboxamide is NC(=O)c1cnc(CF)o1.
What is the InChIKey of 2-(fluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is JDLZVFMANFALSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O2/c6-1-4-8-2-3(10-4)5(7)9/h2H,1H2,(H2,7,9).
What are the key properties of 2-(fluoromethyl)-1,3-oxazole-5-carboxamide?
2-(fluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 144.10 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 139330366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).