1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone

C15H18N4O2 — CID 110225718

IUPAC1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ncncc2-c2cc(C)no2)C1
InChIInChI=1S/C15H18N4O2/c1-10-6-14(21-18-10)13-7-16-9-17-15(13)12-4-3-5-19(8-12)11(2)20/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyLSVVETVYTUPRHX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.17
Rot. Bonds2

About 1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone

1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 110225718) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID110225718
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2ncncc2-c2cc(C)no2)C1
InChIInChI=1S/C15H18N4O2/c1-10-6-14(21-18-10)13-7-16-9-17-15(13)12-4-3-5-19(8-12)11(2)20/h6-7,9,12H,3-5,8H2,1-2H3
InChIKeyLSVVETVYTUPRHX-UHFFFAOYSA-N
XLogP2.17
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95797354
N,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide
CID 16669794
[1-(4-chlorophenyl)cyclobutyl]-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95797358
3-(furan-2-yl)-1-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 95797361
[1-(3-fluorophenyl)cyclopentyl]-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 92554748
3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole
CID 95833537
(1-ethyl-5-methylpyrazol-4-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 46958851
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 16669757
cyclopropyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219984
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 122186922
(5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 16670370
cyclopropyl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)thiadiazol-4-yl]piperidin-1-yl]methanone
CID 95856208

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 110225718) is 1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2ncncc2-c2cc(C)no2)C1.
What is the InChIKey of 1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is LSVVETVYTUPRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-6-14(21-18-10)13-7-16-9-17-15(13)12-4-3-5-19(8-12)11(2)20/h6-7,9,12H,3-5,8H2,1-2H3.
What are the key properties of 1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110225718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).