[3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol

C10H8ClFN2O2 — CID 146272871

IUPAC[3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol
SMILESCc1onc(-c2ncc(Cl)cc2F)c1CO
InChIInChI=1S/C10H8ClFN2O2/c1-5-7(4-15)9(14-16-5)10-8(12)2-6(11)3-13-10/h2-3,15H,4H2,1H3
InChIKeyPUJCGDSGSQNWBZ-UHFFFAOYSA-N
MW242.64 g/mol
LogP2.33
Rot. Bonds2

About [3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol

[3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol (PubChem CID 146272871) has the molecular formula C10H8ClFN2O2 and a molecular weight of 242.64 g/mol. Its IUPAC name is [3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol
PubChem CID146272871
Molecular FormulaC10H8ClFN2O2
Molecular Weight242.64 g/mol
Exact Mass242.03
IUPAC Name[3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol
SMILESCc1onc(-c2ncc(Cl)cc2F)c1CO
InChIInChI=1S/C10H8ClFN2O2/c1-5-7(4-15)9(14-16-5)10-8(12)2-6(11)3-13-10/h2-3,15H,4H2,1H3
InChIKeyPUJCGDSGSQNWBZ-UHFFFAOYSA-N
XLogP2.33
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.64
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol (CID 146272871) is [3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol is Cc1onc(-c2ncc(Cl)cc2F)c1CO.
What is the InChIKey of [3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol?
The InChIKey is PUJCGDSGSQNWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O2/c1-5-7(4-15)9(14-16-5)10-8(12)2-6(11)3-13-10/h2-3,15H,4H2,1H3.
What are the key properties of [3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol?
[3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol has a molecular weight of 242.64 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-3-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 146272871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).