2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide

C17H23N5O2 — CID 122318529

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1nccc(N2CCCCC2)n1
InChIInChI=1S/C17H23N5O2/c1-12-14(13(2)24-21-12)10-17(23)19-11-15-18-7-6-16(20-15)22-8-4-3-5-9-22/h6-7H,3-5,8-11H2,1-2H3,(H,19,23)
InChIKeyXMTNYZUYKHOOPM-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.93
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide (PubChem CID 122318529) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
PubChem CID122318529
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1nccc(N2CCCCC2)n1
InChIInChI=1S/C17H23N5O2/c1-12-14(13(2)24-21-12)10-17(23)19-11-15-18-7-6-16(20-15)22-8-4-3-5-9-22/h6-7H,3-5,8-11H2,1-2H3,(H,19,23)
InChIKeyXMTNYZUYKHOOPM-UHFFFAOYSA-N
XLogP1.93
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide with MolForge

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Related Compounds

N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide
CID 122317438
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
2-cyclopentyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318482
2,4-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91966531
2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317423
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
2,2-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 72717995
5-cyclopropyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122318528
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 72717997
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318546

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide (CID 122318529) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide is Cc1noc(C)c1CC(=O)NCc1nccc(N2CCCCC2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide?
The InChIKey is XMTNYZUYKHOOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-14(13(2)24-21-12)10-17(23)19-11-15-18-7-6-16(20-15)22-8-4-3-5-9-22/h6-7H,3-5,8-11H2,1-2H3,(H,19,23).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 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)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 122318529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).