4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C16H23N5O2 — CID 167859840

IUPAC4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(Cc3nc(C(C)(C)C)co3)CC2=O)cn1
InChIInChI=1S/C16H23N5O2/c1-16(2,3)13-11-23-14(18-13)9-20-5-6-21(15(22)10-20)12-7-17-19(4)8-12/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyVLECFNLOOCZXDV-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.55
Rot. Bonds3

About 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 167859840) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID167859840
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(Cc3nc(C(C)(C)C)co3)CC2=O)cn1
InChIInChI=1S/C16H23N5O2/c1-16(2,3)13-11-23-14(18-13)9-20-5-6-21(15(22)10-20)12-7-17-19(4)8-12/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyVLECFNLOOCZXDV-UHFFFAOYSA-N
XLogP1.55
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 110009222
1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one
CID 126776840
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 166226934
4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 97159814
4-[(5-fluoro-2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 122138686
4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126796157
1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one
CID 120916491
1-(1-methylpyrazol-4-yl)-4-[(3-pyridin-2-ylphenyl)methyl]piperazin-2-one
CID 75514982
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433181
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
4-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]benzonitrile
CID 133336956

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 167859840) is 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cn1cc(N2CCN(Cc3nc(C(C)(C)C)co3)CC2=O)cn1.
What is the InChIKey of 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is VLECFNLOOCZXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-16(2,3)13-11-23-14(18-13)9-20-5-6-21(15(22)10-20)12-7-17-19(4)8-12/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 167859840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).