[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone

C17H23N5O2 — CID 56817835

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
SMILESCCc1ncncc1C(=O)N1CCN(Cc2c(C)noc2C)CC1
InChIInChI=1S/C17H23N5O2/c1-4-16-14(9-18-11-19-16)17(23)22-7-5-21(6-8-22)10-15-12(2)20-24-13(15)3/h9,11H,4-8,10H2,1-3H3
InChIKeyVBNOOADFQHDUOY-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.60
Rot. Bonds4

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone (PubChem CID 56817835) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
PubChem CID56817835
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone
SMILESCCc1ncncc1C(=O)N1CCN(Cc2c(C)noc2C)CC1
InChIInChI=1S/C17H23N5O2/c1-4-16-14(9-18-11-19-16)17(23)22-7-5-21(6-8-22)10-15-12(2)20-24-13(15)3/h9,11H,4-8,10H2,1-3H3
InChIKeyVBNOOADFQHDUOY-UHFFFAOYSA-N
XLogP1.60
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone (CID 56817835) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone is CCc1ncncc1C(=O)N1CCN(Cc2c(C)noc2C)CC1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone?
The InChIKey is VBNOOADFQHDUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-16-14(9-18-11-19-16)17(23)22-7-5-21(6-8-22)10-15-12(2)20-24-13(15)3/h9,11H,4-8,10H2,1-3H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(4-ethylpyrimidin-5-yl)methanone is sourced from PubChem (CID 56817835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).