2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C18H26N4O4 — CID 70753618

IUPAC2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3ccc(C)o3)C(CCO)C2)no1
InChIInChI=1S/C18H26N4O4/c1-13-3-4-16(25-13)11-22-7-6-21(10-15(22)5-8-23)12-18(24)19-17-9-14(2)26-20-17/h3-4,9,15,23H,5-8,10-12H2,1-2H3,(H,19,20,24)
InChIKeyUKSQKJAKFRRSRJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.39
Rot. Bonds7

About 2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 70753618) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID70753618
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3ccc(C)o3)C(CCO)C2)no1
InChIInChI=1S/C18H26N4O4/c1-13-3-4-16(25-13)11-22-7-6-21(10-15(22)5-8-23)12-18(24)19-17-9-14(2)26-20-17/h3-4,9,15,23H,5-8,10-12H2,1-2H3,(H,19,20,24)
InChIKeyUKSQKJAKFRRSRJ-UHFFFAOYSA-N
XLogP1.39
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[(3R)-3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 98567991
2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(E)-4-methylpent-2-enyl]piperazin-2-yl]ethanol
CID 98649182
2-[4-[(5-methylfuran-2-yl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45231803
2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95350413
2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
CID 98566079
2-[(2S)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 29027625
4-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 63124886
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
5-chloro-4-[[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]methyl]-2-methoxyphenol
CID 45228073
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119922199
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 45252298

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 70753618) is 2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(Cc3ccc(C)o3)C(CCO)C2)no1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UKSQKJAKFRRSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-13-3-4-16(25-13)11-22-7-6-21(10-15(22)5-8-23)12-18(24)19-17-9-14(2)26-20-17/h3-4,9,15,23H,5-8,10-12H2,1-2H3,(H,19,20,24).
What are the key properties of 2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 70753618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).