fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate

C9H4F3N3O3 — CID 169163844

IUPACfluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate
SMILESO=C(OF)c1oc(-c2ncccn2)nc1C(F)F
InChIInChI=1S/C9H4F3N3O3/c10-6(11)4-5(9(16)18-12)17-8(15-4)7-13-2-1-3-14-7/h1-3,6H
InChIKeyTWMHMWXVSPTLMM-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.11
Rot. Bonds3

About fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate

fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate (PubChem CID 169163844) has the molecular formula C9H4F3N3O3 and a molecular weight of 259.14 g/mol. Its IUPAC name is fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namefluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate
PubChem CID169163844
Molecular FormulaC9H4F3N3O3
Molecular Weight259.14 g/mol
Exact Mass259.02
IUPAC Namefluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate
SMILESO=C(OF)c1oc(-c2ncccn2)nc1C(F)F
InChIInChI=1S/C9H4F3N3O3/c10-6(11)4-5(9(16)18-12)17-8(15-4)7-13-2-1-3-14-7/h1-3,6H
InChIKeyTWMHMWXVSPTLMM-UHFFFAOYSA-N
XLogP2.11
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate?
The IUPAC name of fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate (CID 169163844) is fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate?
The canonical SMILES for fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate is O=C(OF)c1oc(-c2ncccn2)nc1C(F)F.
What is the InChIKey of fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate?
The InChIKey is TWMHMWXVSPTLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3O3/c10-6(11)4-5(9(16)18-12)17-8(15-4)7-13-2-1-3-14-7/h1-3,6H.
What are the key properties of fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate?
fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate has a molecular weight of 259.14 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-(difluoromethyl)-2-pyrimidin-2-yl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 169163844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).