3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one

C18H15BrN2O2 — CID 158071727

IUPAC3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccc(C(=O)CCc2cc(-c3ccc(Br)cc3)no2)cn1
InChIInChI=1S/C18H15BrN2O2/c1-12-2-3-14(11-20-12)18(22)9-8-16-10-17(21-23-16)13-4-6-15(19)7-5-13/h2-7,10-11H,8-9H2,1H3
InChIKeyKRVHYSNIYWFNFF-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.62
Rot. Bonds5

About 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one

3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one (PubChem CID 158071727) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
PubChem CID158071727
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
SMILESCc1ccc(C(=O)CCc2cc(-c3ccc(Br)cc3)no2)cn1
InChIInChI=1S/C18H15BrN2O2/c1-12-2-3-14(11-20-12)18(22)9-8-16-10-17(21-23-16)13-4-6-15(19)7-5-13/h2-7,10-11H,8-9H2,1H3
InChIKeyKRVHYSNIYWFNFF-UHFFFAOYSA-N
XLogP4.62
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one (CID 158071727) is 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one is Cc1ccc(C(=O)CCc2cc(-c3ccc(Br)cc3)no2)cn1.
What is the InChIKey of 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one?
The InChIKey is KRVHYSNIYWFNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-12-2-3-14(11-20-12)18(22)9-8-16-10-17(21-23-16)13-4-6-15(19)7-5-13/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one?
3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one has a molecular weight of 371.23 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 158071727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).