2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C21H23N5O4 — CID 146665364

IUPAC2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(C2CCCN(Cc3ccccc3)C2)nc(C(=O)Nc2cnoc2)c(O)c1=O
InChIInChI=1S/C21H23N5O4/c1-25-19(15-8-5-9-26(12-15)11-14-6-3-2-4-7-14)24-17(18(27)21(25)29)20(28)23-16-10-22-30-13-16/h2-4,6-7,10,13,15,27H,5,8-9,11-12H2,1H3,(H,23,28)
InChIKeyBWJPNSXIBWRMOX-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.11
Rot. Bonds5

About 2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 146665364) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID146665364
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(C2CCCN(Cc3ccccc3)C2)nc(C(=O)Nc2cnoc2)c(O)c1=O
InChIInChI=1S/C21H23N5O4/c1-25-19(15-8-5-9-26(12-15)11-14-6-3-2-4-7-14)24-17(18(27)21(25)29)20(28)23-16-10-22-30-13-16/h2-4,6-7,10,13,15,27H,5,8-9,11-12H2,1H3,(H,23,28)
InChIKeyBWJPNSXIBWRMOX-UHFFFAOYSA-N
XLogP2.11
TPSA113.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide 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 2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 146665364) is 2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cn1c(C2CCCN(Cc3ccccc3)C2)nc(C(=O)Nc2cnoc2)c(O)c1=O.
What is the InChIKey of 2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is BWJPNSXIBWRMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-25-19(15-8-5-9-26(12-15)11-14-6-3-2-4-7-14)24-17(18(27)21(25)29)20(28)23-16-10-22-30-13-16/h2-4,6-7,10,13,15,27H,5,8-9,11-12H2,1H3,(H,23,28).
What are the key properties of 2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-3-yl)-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 146665364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).