2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C21H20ClN5O5 — CID 146665378

IUPAC2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc(C(=O)Nc2cnoc2)c(O)c1=O
InChIInChI=1S/C21H20ClN5O5/c1-26-18(25-16(17(28)21(26)31)19(29)24-15-9-23-32-11-15)13-3-2-8-27(10-13)20(30)12-4-6-14(22)7-5-12/h4-7,9,11,13,28H,2-3,8,10H2,1H3,(H,24,29)
InChIKeyOOQZTEFULZQJSI-UHFFFAOYSA-N
MW457.87 g/mol
LogP2.40
Rot. Bonds4

About 2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 146665378) has the molecular formula C21H20ClN5O5 and a molecular weight of 457.87 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID146665378
Molecular FormulaC21H20ClN5O5
Molecular Weight457.87 g/mol
Exact Mass457.12
IUPAC Name2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCn1c(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc(C(=O)Nc2cnoc2)c(O)c1=O
InChIInChI=1S/C21H20ClN5O5/c1-26-18(25-16(17(28)21(26)31)19(29)24-15-9-23-32-11-15)13-3-2-8-27(10-13)20(30)12-4-6-14(22)7-5-12/h4-7,9,11,13,28H,2-3,8,10H2,1H3,(H,24,29)
InChIKeyOOQZTEFULZQJSI-UHFFFAOYSA-N
XLogP2.40
TPSA130.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.87
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[1-(4-chlorobenzoyl)piperidin-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

Related Compounds

2-[(3S,6S)-1-(3,4-dichlorobenzoyl)-6-methylpiperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 146665717
5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-2-[1-(1-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 172693364
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxamide
CID 146664900
N-[4-[5-[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071646
2-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]-N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 170645924
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
(4-chlorophenyl)-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1457612
5-hydroxy-1-methyl-2-[methyl(pyridin-2-ylmethyl)amino]-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 155590513
2-(1-benzoylpyrrolidin-3-yl)-N-(4-chlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110088672
2-[1-(2-cyanophenyl)-1-(3,5-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
CID 166100173
(3S)-1-[4-[(4-chlorobenzoyl)amino]benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92728882

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 146665378) is 2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cn1c(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)nc(C(=O)Nc2cnoc2)c(O)c1=O.
What is the InChIKey of 2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is OOQZTEFULZQJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O5/c1-26-18(25-16(17(28)21(26)31)19(29)24-15-9-23-32-11-15)13-3-2-8-27(10-13)20(30)12-4-6-14(22)7-5-12/h4-7,9,11,13,28H,2-3,8,10H2,1H3,(H,24,29).
What are the key properties of 2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 457.87 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorobenzoyl)piperidin-3-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 146665378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).