1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide

C26H33BrN4O2 — CID 171667099

IUPAC1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide
SMILESBr.CCCc1ncc(-c2onc(C)c2C)c(C2CCCCN2C(=O)CCc2ccccc2)n1
InChIInChI=1S/C26H32N4O2.BrH/c1-4-10-23-27-17-21(26-18(2)19(3)29-32-26)25(28-23)22-13-8-9-16-30(22)24(31)15-14-20-11-6-5-7-12-20;/h5-7,11-12,17,22H,4,8-10,13-16H2,1-3H3;1H
InChIKeyUVULPDFKSOUKBN-UHFFFAOYSA-N
MW513.48 g/mol
LogP5.97
Rot. Bonds7

About 1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide

1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide (PubChem CID 171667099) has the molecular formula C26H33BrN4O2 and a molecular weight of 513.48 g/mol. Its IUPAC name is 1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide.

Molecular Properties

Compound Name1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide
PubChem CID171667099
Molecular FormulaC26H33BrN4O2
Molecular Weight513.48 g/mol
Exact Mass512.18
IUPAC Name1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide
SMILESBr.CCCc1ncc(-c2onc(C)c2C)c(C2CCCCN2C(=O)CCc2ccccc2)n1
InChIInChI=1S/C26H32N4O2.BrH/c1-4-10-23-27-17-21(26-18(2)19(3)29-32-26)25(28-23)22-13-8-9-16-30(22)24(31)15-14-20-11-6-5-7-12-20;/h5-7,11-12,17,22H,4,8-10,13-16H2,1-3H3;1H
InChIKeyUVULPDFKSOUKBN-UHFFFAOYSA-N
XLogP5.97
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.48
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide 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

1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95850476
1-[(2R)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92596924
2-cyclohexyl-1-[(2S)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95850470
1-[(2R)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 92590457
1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 92596998
1-[(2R)-2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 92593692
1-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 110218525
1-[(2R)-2-[4-(3,4-dimethyl-1,2-oxazol-5-yl)-1-methylpyrazol-3-yl]piperidin-1-yl]butan-1-one
CID 92586497
1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 92554405
2-cyclohexyl-1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92596918
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110266816
1-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 110218523

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide?
The IUPAC name of 1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide (CID 171667099) is 1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide.
What is the SMILES notation for 1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide?
The canonical SMILES for 1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide is Br.CCCc1ncc(-c2onc(C)c2C)c(C2CCCCN2C(=O)CCc2ccccc2)n1.
What is the InChIKey of 1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide?
The InChIKey is UVULPDFKSOUKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2.BrH/c1-4-10-23-27-17-21(26-18(2)19(3)29-32-26)25(28-23)22-13-8-9-16-30(22)24(31)15-14-20-11-6-5-7-12-20;/h5-7,11-12,17,22H,4,8-10,13-16H2,1-3H3;1H.
What are the key properties of 1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide?
1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide has a molecular weight of 513.48 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-propylpyrimidin-4-yl]piperidin-1-yl]-3-phenylpropan-1-one;hydrobromide is sourced from PubChem (CID 171667099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).