3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole

C13H16N4O — CID 95833537

IUPAC3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole
SMILESCc1cc(-c2cncnc2C2CCNCC2)on1
InChIInChI=1S/C13H16N4O/c1-9-6-12(18-17-9)11-7-15-8-16-13(11)10-2-4-14-5-3-10/h6-8,10,14H,2-5H2,1H3
InChIKeyVCLOWINNYJUTQH-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.91
Rot. Bonds2

About 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole

3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole (PubChem CID 95833537) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole
PubChem CID95833537
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole
SMILESCc1cc(-c2cncnc2C2CCNCC2)on1
InChIInChI=1S/C13H16N4O/c1-9-6-12(18-17-9)11-7-15-8-16-13(11)10-2-4-14-5-3-10/h6-8,10,14H,2-5H2,1H3
InChIKeyVCLOWINNYJUTQH-UHFFFAOYSA-N
XLogP1.91
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylimidazol-2-yl)-4-piperidin-4-ylpyrimidine
CID 53415039
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-(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
(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,N-diethyl-3-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxamide
CID 16669794
(5-ethoxyfuran-2-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 16670370
[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
5-[4-(4-chlorophenyl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 42643241
[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-[5-[(3R)-piperidin-3-yl]-1,2-oxazol-4-yl]-1,2-oxazole
CID 95857102
6-piperidin-4-ylthieno[2,3-d]pyrimidine
CID 96608942

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole (CID 95833537) is 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole is Cc1cc(-c2cncnc2C2CCNCC2)on1.
What is the InChIKey of 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole?
The InChIKey is VCLOWINNYJUTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-12(18-17-9)11-7-15-8-16-13(11)10-2-4-14-5-3-10/h6-8,10,14H,2-5H2,1H3.
What are the key properties of 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole?
3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole has a molecular weight of 244.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-piperidin-4-ylpyrimidin-5-yl)-1,2-oxazole is sourced from PubChem (CID 95833537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).