3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one

C18H15ClN2O2 — CID 159551719

IUPAC3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccc(C(=O)CCc2cc(-c3ccccc3Cl)no2)cn1
InChIInChI=1S/C18H15ClN2O2/c1-12-6-7-13(11-20-12)18(22)9-8-14-10-17(21-23-14)15-4-2-3-5-16(15)19/h2-7,10-11H,8-9H2,1H3
InChIKeyKQBUMJMTTNESFM-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.51
Rot. Bonds5

About 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one

3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one (PubChem CID 159551719) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
PubChem CID159551719
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccc(C(=O)CCc2cc(-c3ccccc3Cl)no2)cn1
InChIInChI=1S/C18H15ClN2O2/c1-12-6-7-13(11-20-12)18(22)9-8-14-10-17(21-23-14)15-4-2-3-5-16(15)19/h2-7,10-11H,8-9H2,1H3
InChIKeyKQBUMJMTTNESFM-UHFFFAOYSA-N
XLogP4.51
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
CID 159551717
3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
CID 158071727
1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one
CID 158228178
1-(6-chloro-3-pyridinyl)-4-(6-methyl-3-pyridinyl)butane-1,4-dione
CID 90363391
2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol
CID 104823802
3-(2-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazole
CID 173191534
3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
CID 143409135
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
CID 159539835
[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]methanol
CID 104823801
N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
CID 72930406
5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole
CID 166596910
2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105135626

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one (CID 159551719) is 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one is Cc1ccc(C(=O)CCc2cc(-c3ccccc3Cl)no2)cn1.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one?
The InChIKey is KQBUMJMTTNESFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12-6-7-13(11-20-12)18(22)9-8-14-10-17(21-23-14)15-4-2-3-5-16(15)19/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one?
3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one has a molecular weight of 326.78 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 159551719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).