4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C19H21N5O2 — CID 166226934

IUPAC4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCc1ccc(-c2cc(CN3CCN(c4cnn(C)c4)C(=O)C3)on2)cc1
InChIInChI=1S/C19H21N5O2/c1-14-3-5-15(6-4-14)18-9-17(26-21-18)12-23-7-8-24(19(25)13-23)16-10-20-22(2)11-16/h3-6,9-11H,7-8,12-13H2,1-2H3
InChIKeyPMMIFOJCWWVLDH-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.23
Rot. Bonds4

About 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 166226934) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID166226934
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCc1ccc(-c2cc(CN3CCN(c4cnn(C)c4)C(=O)C3)on2)cc1
InChIInChI=1S/C19H21N5O2/c1-14-3-5-15(6-4-14)18-9-17(26-21-18)12-23-7-8-24(19(25)13-23)16-10-20-22(2)11-16/h3-6,9-11H,7-8,12-13H2,1-2H3
InChIKeyPMMIFOJCWWVLDH-UHFFFAOYSA-N
XLogP2.23
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 110009222
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 86774588
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
3-(4-methylphenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 43348712
4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 167859840
(3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione
CID 165422011
4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126796157
3-(4-methylphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 36921264
3-methyl-7-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56898795
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 166226934) is 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cc1ccc(-c2cc(CN3CCN(c4cnn(C)c4)C(=O)C3)on2)cc1.
What is the InChIKey of 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is PMMIFOJCWWVLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-3-5-15(6-4-14)18-9-17(26-21-18)12-23-7-8-24(19(25)13-23)16-10-20-22(2)11-16/h3-6,9-11H,7-8,12-13H2,1-2H3.
What are the key properties of 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 351.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 166226934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).