[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone

C20H34N4O3 — CID 95199241

IUPAC[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone
SMILESCCN1CCN(Cc2cc(C(=O)N3CCC([C@@H](O)C(C)C)CC3)no2)CC1
InChIInChI=1S/C20H34N4O3/c1-4-22-9-11-23(12-10-22)14-17-13-18(21-27-17)20(26)24-7-5-16(6-8-24)19(25)15(2)3/h13,15-16,19,25H,4-12,14H2,1-3H3/t19-/m0/s1
InChIKeyMPSURBNQTNHYTL-IBGZPJMESA-N
MW378.52 g/mol
LogP1.68
Rot. Bonds6

About [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone

[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone (PubChem CID 95199241) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone
PubChem CID95199241
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone
SMILESCCN1CCN(Cc2cc(C(=O)N3CCC([C@@H](O)C(C)C)CC3)no2)CC1
InChIInChI=1S/C20H34N4O3/c1-4-22-9-11-23(12-10-22)14-17-13-18(21-27-17)20(26)24-7-5-16(6-8-24)19(25)15(2)3/h13,15-16,19,25H,4-12,14H2,1-3H3/t19-/m0/s1
InChIKeyMPSURBNQTNHYTL-IBGZPJMESA-N
XLogP1.68
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2R)-2-hydroxypropyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 95213339
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 56740716
[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 56715974
5-[(4-ethylpiperazin-1-yl)methyl]-N-[(2S)-5-methylhexan-2-yl]-1,2-oxazole-3-carboxamide
CID 95216294
[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 95200907
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 56706818
(4-methylpiperidin-1-yl)-(5-propyl-1,2-oxazol-3-yl)methanone
CID 22427573
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95203947
5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 55117077
(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
5-[(4-ethylpiperazin-1-yl)methyl]-N-(2-methoxyethyl)-1,2-oxazole-3-carboxamide
CID 56741147
N-[1-[5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 56755434

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone?
The IUPAC name of [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone (CID 95199241) is [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone is CCN1CCN(Cc2cc(C(=O)N3CCC([C@@H](O)C(C)C)CC3)no2)CC1.
What is the InChIKey of [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone?
The InChIKey is MPSURBNQTNHYTL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H34N4O3/c1-4-22-9-11-23(12-10-22)14-17-13-18(21-27-17)20(26)24-7-5-16(6-8-24)19(25)15(2)3/h13,15-16,19,25H,4-12,14H2,1-3H3/t19-/m0/s1.
What are the key properties of [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone?
[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone has a molecular weight of 378.52 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-[4-[(1S)-1-hydroxy-2-methylpropyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95199241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).