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

C6H7FN2O2 — CID 130626728

IUPACN-(2-fluoroethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(NCCF)c1cnco1
InChIInChI=1S/C6H7FN2O2/c7-1-2-9-6(10)5-3-8-4-11-5/h3-4H,1-2H2,(H,9,10)
InChIKeyROTCQBWBIVLJNX-UHFFFAOYSA-N
MW158.13 g/mol
LogP0.37
Rot. Bonds3

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

N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide (PubChem CID 130626728) has the molecular formula C6H7FN2O2 and a molecular weight of 158.13 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1,3-oxazole-5-carboxamide
PubChem CID130626728
Molecular FormulaC6H7FN2O2
Molecular Weight158.13 g/mol
Exact Mass158.05
IUPAC NameN-(2-fluoroethyl)-1,3-oxazole-5-carboxamide
SMILESO=C(NCCF)c1cnco1
InChIInChI=1S/C6H7FN2O2/c7-1-2-9-6(10)5-3-8-4-11-5/h3-4H,1-2H2,(H,9,10)
InChIKeyROTCQBWBIVLJNX-UHFFFAOYSA-N
XLogP0.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.13
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Oxazole-5-carboxamide
CID 22318809
N-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]-1,3-oxazole-5-carboxamide
CID 90650033
1,3-Oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 90040422
2-(Trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 91132062
2-(Difluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330037
2-(Fluoromethyl)-1,3-oxazole-5-carboxamide
CID 139330366
N-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 154073475
2-(2,2,2-Trifluoroethyl)-1,3-oxazole-5-carboxamide
CID 176266476
2,2,2-trifluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine
CID 61318733
3,3,3-trifluoro-N-(1,3-oxazol-5-ylmethyl)propan-1-amine
CID 65966594
2,2-difluoro-N-(1,3-oxazol-5-ylmethyl)ethanamine
CID 115405773
N-(1-fluoro-2-methylpropan-2-yl)-1,3-oxazole-5-carboxamide
CID 127000366

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide (CID 130626728) is N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide is O=C(NCCF)c1cnco1.
What is the InChIKey of N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is ROTCQBWBIVLJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2/c7-1-2-9-6(10)5-3-8-4-11-5/h3-4H,1-2H2,(H,9,10).
What are the key properties of N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide?
N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 158.13 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 130626728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).