(5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone

C17H23N5O2 — CID 167771150

IUPAC(5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ncc(C(C)(C)C)o2)CCN1c1cnccn1
InChIInChI=1S/C17H23N5O2/c1-12-11-21(7-8-22(12)14-10-18-5-6-19-14)16(23)15-20-9-13(24-15)17(2,3)4/h5-6,9-10,12H,7-8,11H2,1-4H3
InChIKeyIMCDFMMTTNSMNE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.11
Rot. Bonds2

About (5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone

(5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 167771150) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID167771150
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ncc(C(C)(C)C)o2)CCN1c1cnccn1
InChIInChI=1S/C17H23N5O2/c1-12-11-21(7-8-22(12)14-10-18-5-6-19-14)16(23)15-20-9-13(24-15)17(2,3)4/h5-6,9-10,12H,7-8,11H2,1-4H3
InChIKeyIMCDFMMTTNSMNE-UHFFFAOYSA-N
XLogP2.11
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide
CID 166270134
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 166270136
(5-tert-butyl-1,3-oxazol-2-yl)-piperazin-1-ylmethanone
CID 110833104
(5-tert-butyl-1,3-oxazol-2-yl)-(1,4-diazepan-1-yl)methanone
CID 110833105
1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone
CID 167420915
[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)amino]phenyl]methanone
CID 139473858
2-(5-chloro-2-methylpiperidin-1-yl)pyrazine
CID 130855779
3-methyl-4-pyrazin-2-ylthiomorpholine
CID 131155886
1-(1-pyrazin-2-ylpiperidin-2-yl)ethanone
CID 63845687
(4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682644
(4-methylpyrrolidin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 63713980
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 167771150) is (5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ncc(C(C)(C)C)o2)CCN1c1cnccn1.
What is the InChIKey of (5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IMCDFMMTTNSMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-11-21(7-8-22(12)14-10-18-5-6-19-14)16(23)15-20-9-13(24-15)17(2,3)4/h5-6,9-10,12H,7-8,11H2,1-4H3.
What are the key properties of (5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone?
(5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3-oxazol-2-yl)-(3-methyl-4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 167771150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).