N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide

C8H4ClFN4O2 — CID 10171437

IUPACN-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1cnc(Cl)nc1)c1nc(F)co1
InChIInChI=1S/C8H4ClFN4O2/c9-8-11-1-4(2-12-8)13-6(15)7-14-5(10)3-16-7/h1-3H,(H,13,15)
InChIKeySPHUQXBFFRSGSI-UHFFFAOYSA-N
MW242.60 g/mol
LogP1.51
Rot. Bonds2

About N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide

N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide (PubChem CID 10171437) has the molecular formula C8H4ClFN4O2 and a molecular weight of 242.60 g/mol. Its IUPAC name is N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide
PubChem CID10171437
Molecular FormulaC8H4ClFN4O2
Molecular Weight242.60 g/mol
Exact Mass242.00
IUPAC NameN-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide
SMILESO=C(Nc1cnc(Cl)nc1)c1nc(F)co1
InChIInChI=1S/C8H4ClFN4O2/c9-8-11-1-4(2-12-8)13-6(15)7-14-5(10)3-16-7/h1-3H,(H,13,15)
InChIKeySPHUQXBFFRSGSI-UHFFFAOYSA-N
XLogP1.51
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.60
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide (CID 10171437) is N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide is O=C(Nc1cnc(Cl)nc1)c1nc(F)co1.
What is the InChIKey of N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide?
The InChIKey is SPHUQXBFFRSGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN4O2/c9-8-11-1-4(2-12-8)13-6(15)7-14-5(10)3-16-7/h1-3H,(H,13,15).
What are the key properties of N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide?
N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide has a molecular weight of 242.60 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-5-yl)-4-fluoro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 10171437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).