2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone

C28H29N5O2 — CID 42539920

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)Cc3c(C)noc3C)CC2)c1
InChIInChI=1S/C28H29N5O2/c1-18-5-4-6-23(15-18)25-17-30-28(22-7-11-29-12-8-22)31-27(25)21-9-13-33(14-10-21)26(34)16-24-19(2)32-35-20(24)3/h4-8,11-12,15,17,21H,9-10,13-14,16H2,1-3H3
InChIKeyUXCFDPHRZSQWRI-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.07
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 42539920) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID42539920
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)Cc3c(C)noc3C)CC2)c1
InChIInChI=1S/C28H29N5O2/c1-18-5-4-6-23(15-18)25-17-30-28(22-7-11-29-12-8-22)31-27(25)21-9-13-33(14-10-21)26(34)16-24-19(2)32-35-20(24)3/h4-8,11-12,15,17,21H,9-10,13-14,16H2,1-3H3
InChIKeyUXCFDPHRZSQWRI-UHFFFAOYSA-N
XLogP5.07
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone 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

[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 42191212
[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
CID 42380505
2,3-dihydro-1,4-benzodioxin-6-yl-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 26359525
N-[5-[[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 28783913
cyclopropyl-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965192
1-[4-(2,5-dipyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 46965194
1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16669837
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[4-[2-(propan-2-ylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 46962196
1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 163344763
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853
1-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 26321904
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 127246561

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone (CID 42539920) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone is Cc1cccc(-c2cnc(-c3ccncc3)nc2C2CCN(C(=O)Cc3c(C)noc3C)CC2)c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is UXCFDPHRZSQWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-18-5-4-6-23(15-18)25-17-30-28(22-7-11-29-12-8-22)31-27(25)21-9-13-33(14-10-21)26(34)16-24-19(2)32-35-20(24)3/h4-8,11-12,15,17,21H,9-10,13-14,16H2,1-3H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 467.57 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[5-(3-methylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 42539920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).