[4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

C21H30N6O2 — CID 75262120

IUPAC[4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1onc(C(=O)N2CCN(Cc3ccccn3)CC2)c1CC1C(C)NNC1C
InChIInChI=1S/C21H30N6O2/c1-14-18(15(2)24-23-14)12-19-16(3)29-25-20(19)21(28)27-10-8-26(9-11-27)13-17-6-4-5-7-22-17/h4-7,14-15,18,23-24H,8-13H2,1-3H3
InChIKeyHPGLSPQWJYLGCX-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.38
Rot. Bonds5

About [4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

[4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 75262120) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is [4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID75262120
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name[4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1onc(C(=O)N2CCN(Cc3ccccn3)CC2)c1CC1C(C)NNC1C
InChIInChI=1S/C21H30N6O2/c1-14-18(15(2)24-23-14)12-19-16(3)29-25-20(19)21(28)27-10-8-26(9-11-27)13-17-6-4-5-7-22-17/h4-7,14-15,18,23-24H,8-13H2,1-3H3
InChIKeyHPGLSPQWJYLGCX-UHFFFAOYSA-N
XLogP1.38
TPSA86.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(4-ethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 19444615
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 55447549
[4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19443475
pyridin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 704367
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[5-methyl-4-(phenoxymethyl)-1,2-oxazol-3-yl]methanone
CID 19488081
3,5-dimethyl-4-[[2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 171688693
(5-amino-2-methylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 120647849
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19490286
2-propan-2-yl-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one
CID 51262953
(3-methyl-1-benzofuran-2-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 23739584
(5-tert-butyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 46969088
4-[[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97452960

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 75262120) is [4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is Cc1onc(C(=O)N2CCN(Cc3ccccn3)CC2)c1CC1C(C)NNC1C.
What is the InChIKey of [4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is HPGLSPQWJYLGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-14-18(15(2)24-23-14)12-19-16(3)29-25-20(19)21(28)27-10-8-26(9-11-27)13-17-6-4-5-7-22-17/h4-7,14-15,18,23-24H,8-13H2,1-3H3.
What are the key properties of [4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
[4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 75262120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).