N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide

C17H26N4O4 — CID 110128161

IUPACN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)N1CCN(C2CCC[C@@H](NC(=O)c3coc(C)n3)[C@H]2O)CC1
InChIInChI=1S/C17H26N4O4/c1-11-18-14(10-25-11)17(24)19-13-4-3-5-15(16(13)23)21-8-6-20(7-9-21)12(2)22/h10,13,15-16,23H,3-9H2,1-2H3,(H,19,24)/t13-,15?,16-/m1/s1
InChIKeyWKBINLGMHREBHY-YAELJHOLSA-N
MW350.42 g/mol
LogP0.16
Rot. Bonds3

About N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide

N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 110128161) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID110128161
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)N1CCN(C2CCC[C@@H](NC(=O)c3coc(C)n3)[C@H]2O)CC1
InChIInChI=1S/C17H26N4O4/c1-11-18-14(10-25-11)17(24)19-13-4-3-5-15(16(13)23)21-8-6-20(7-9-21)12(2)22/h10,13,15-16,23H,3-9H2,1-2H3,(H,19,24)/t13-,15?,16-/m1/s1
InChIKeyWKBINLGMHREBHY-YAELJHOLSA-N
XLogP0.16
TPSA98.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]cyclopropanecarboxamide
CID 110128151
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]-5-methylthiophene-2-carboxamide
CID 110127722
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-3-(2-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 110165098
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycycloheptyl]-3-fluoro-2-hydroxybenzamide
CID 110166087
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide
CID 110128062
N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 121209353
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclopentyl]thiophene-2-carboxamide
CID 110127708
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide
CID 110128241
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]pyrimidine-4-carboxamide
CID 110128094
2-methyl-N-(3-phenylcyclobutyl)-1,3-oxazole-4-carboxamide
CID 138993563
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 110127357
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-(6-fluoroindol-1-yl)acetamide
CID 110165103

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide (CID 110128161) is N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide is CC(=O)N1CCN(C2CCC[C@@H](NC(=O)c3coc(C)n3)[C@H]2O)CC1.
What is the InChIKey of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is WKBINLGMHREBHY-YAELJHOLSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-11-18-14(10-25-11)17(24)19-13-4-3-5-15(16(13)23)21-8-6-20(7-9-21)12(2)22/h10,13,15-16,23H,3-9H2,1-2H3,(H,19,24)/t13-,15?,16-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110128161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).