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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[3,5-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250689
2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135249963
2-(2-bromo-4-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 123499622
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 4296341
5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzaldehyde
CID 12527052
2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)benzene-2-id-1-yl]-4,4-dimethyl-5H-1,3-oxazole;iron
CID 177499917
2-[6-[2,6-bis[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250755
4,4-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)-5H-1,3-oxazole
CID 13268818
4,4-dimethyl-2-(2-methylsulfanylphenyl)-5H-1,3-oxazole
CID 13047584
4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
CID 688301
2-(3,4-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 12872558
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 10583839

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).