N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C20H23N5O3 — CID 122352825

IUPACN-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1cc(CNC(=O)Cn2c(=O)oc3ccccc32)nc(N2CCCCC2)n1
InChIInChI=1S/C20H23N5O3/c1-14-11-15(23-19(22-14)24-9-5-2-6-10-24)12-21-18(26)13-25-16-7-3-4-8-17(16)28-20(25)27/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3,(H,21,26)
InChIKeyVQDDRRVEHMUWHX-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.00
Rot. Bonds5

About N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 122352825) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID122352825
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1cc(CNC(=O)Cn2c(=O)oc3ccccc32)nc(N2CCCCC2)n1
InChIInChI=1S/C20H23N5O3/c1-14-11-15(23-19(22-14)24-9-5-2-6-10-24)12-21-18(26)13-25-16-7-3-4-8-17(16)28-20(25)27/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3,(H,21,26)
InChIKeyVQDDRRVEHMUWHX-UHFFFAOYSA-N
XLogP2.00
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide with MolForge

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Related Compounds

N-[(6-methylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122263466
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 72718308
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122357195
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-phenoxyacetamide
CID 122352239
2-indol-1-yl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 122353777
3,3,3-trifluoro-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352907
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131945994
3-[2-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 122332792
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 131927904
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 18886697
2-(1,3-benzodioxol-5-yl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352849
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131905602

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 122352825) is N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1cc(CNC(=O)Cn2c(=O)oc3ccccc32)nc(N2CCCCC2)n1.
What is the InChIKey of N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is VQDDRRVEHMUWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-14-11-15(23-19(22-14)24-9-5-2-6-10-24)12-21-18(26)13-25-16-7-3-4-8-17(16)28-20(25)27/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3,(H,21,26).
What are the key properties of N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 381.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 122352825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).