N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide

C17H30N4O3 — CID 86817502

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide
SMILESCc1noc(C)c1CCNC(=O)N1CCN(CC(C)(C)O)CC1C
InChIInChI=1S/C17H30N4O3/c1-12-10-20(11-17(4,5)23)8-9-21(12)16(22)18-7-6-15-13(2)19-24-14(15)3/h12,23H,6-11H2,1-5H3,(H,18,22)
InChIKeyRXIQNKXYMDQDFS-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide (PubChem CID 86817502) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide
PubChem CID86817502
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide
SMILESCc1noc(C)c1CCNC(=O)N1CCN(CC(C)(C)O)CC1C
InChIInChI=1S/C17H30N4O3/c1-12-10-20(11-17(4,5)23)8-9-21(12)16(22)18-7-6-15-13(2)19-24-14(15)3/h12,23H,6-11H2,1-5H3,(H,18,22)
InChIKeyRXIQNKXYMDQDFS-UHFFFAOYSA-N
XLogP1.32
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-hydroxy-2-methylpropyl)-2-methylpiperazin-1-yl]methanone
CID 138997748
4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[2-(N-methylanilino)ethyl]piperazine-1-carboxamide
CID 136533856
4-(2-hydroxy-2-methylpropyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
CID 131963672
(3R,5R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3,5-dimethylazepane-1-carboxamide
CID 97240756
trans-(1R,2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131417
ethyl N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamate
CID 110646305
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
2-N-cyclopropyl-1-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrrolidine-1,2-dicarboxamide
CID 75388720
4-acetyl-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 119157757
(3R)-1-tert-butyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97139756
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 154738700
(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide
CID 99826282

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide (CID 86817502) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide is Cc1noc(C)c1CCNC(=O)N1CCN(CC(C)(C)O)CC1C.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide?
The InChIKey is RXIQNKXYMDQDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-12-10-20(11-17(4,5)23)8-9-21(12)16(22)18-7-6-15-13(2)19-24-14(15)3/h12,23H,6-11H2,1-5H3,(H,18,22).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxy-2-methylpropyl)-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 86817502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).