2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole

C10H11ClN2O — CID 139889338

IUPAC2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Cl)cn2)=N1
InChIInChI=1S/C10H11ClN2O/c1-10(2)6-14-9(13-10)8-4-3-7(11)5-12-8/h3-5H,6H2,1-2H3
InChIKeyOXSTVAWVYVCVBC-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.29
Rot. Bonds1

About 2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole

2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 139889338) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID139889338
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(Cl)cn2)=N1
InChIInChI=1S/C10H11ClN2O/c1-10(2)6-14-9(13-10)8-4-3-7(11)5-12-8/h3-5H,6H2,1-2H3
InChIKeyOXSTVAWVYVCVBC-UHFFFAOYSA-N
XLogP2.29
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole (CID 139889338) is 2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(Cl)cn2)=N1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is OXSTVAWVYVCVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-10(2)6-14-9(13-10)8-4-3-7(11)5-12-8/h3-5H,6H2,1-2H3.
What are the key properties of 2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 210.66 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 139889338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).