[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C23H26N6O3 — CID 46952682

IUPAC[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)c3ccncc3)CC2)on1
InChIInChI=1S/C23H26N6O3/c1-16-14-20(32-27-16)19-15-25-23(29-10-12-31-13-11-29)26-21(19)17-4-8-28(9-5-17)22(30)18-2-6-24-7-3-18/h2-3,6-7,14-15,17H,4-5,8-13H2,1H3
InChIKeySIUASVQPKWOEFB-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.69
Rot. Bonds4

About [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 46952682) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID46952682
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)c3ccncc3)CC2)on1
InChIInChI=1S/C23H26N6O3/c1-16-14-20(32-27-16)19-15-25-23(29-10-12-31-13-11-29)26-21(19)17-4-8-28(9-5-17)22(30)18-2-6-24-7-3-18/h2-3,6-7,14-15,17H,4-5,8-13H2,1H3
InChIKeySIUASVQPKWOEFB-UHFFFAOYSA-N
XLogP2.69
TPSA97.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 46952682) is [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1cc(-c2cnc(N3CCOCC3)nc2C2CCN(C(=O)c3ccncc3)CC2)on1.
What is the InChIKey of [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is SIUASVQPKWOEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-16-14-20(32-27-16)19-15-25-23(29-10-12-31-13-11-29)26-21(19)17-4-8-28(9-5-17)22(30)18-2-6-24-7-3-18/h2-3,6-7,14-15,17H,4-5,8-13H2,1H3.
What are the key properties of [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 434.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 46952682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).