4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide

C16H21N5O3 — CID 132969939

IUPAC4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
SMILESCc1noc(CCNC(=O)N2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C16H21N5O3/c1-12-18-15(24-19-12)6-7-17-16(23)21-10-8-20(9-11-21)13-4-2-3-5-14(13)22/h2-5,22H,6-11H2,1H3,(H,17,23)
InChIKeyDFECZSADXAKPHR-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.16
Rot. Bonds4

About 4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide

4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide (PubChem CID 132969939) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
PubChem CID132969939
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide
SMILESCc1noc(CCNC(=O)N2CCN(c3ccccc3O)CC2)n1
InChIInChI=1S/C16H21N5O3/c1-12-18-15(24-19-12)6-7-17-16(23)21-10-8-20(9-11-21)13-4-2-3-5-14(13)22/h2-5,22H,6-11H2,1H3,(H,17,23)
InChIKeyDFECZSADXAKPHR-UHFFFAOYSA-N
XLogP1.16
TPSA94.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 154738700
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797425
4-(2-hydroxyphenyl)-N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111185555
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591
3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 106420605
4-(3-chlorophenyl)-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide
CID 111186759
4-[2-(2,4-difluorophenyl)ethyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboxamide
CID 132972497
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363783
N-[2-(furan-2-yl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 18106072
4-(2-hydroxyphenyl)-N-[2-(3-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 38151158
3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 107329579
N-ethyl-4-(2-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111149157

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide (CID 132969939) is 4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide is Cc1noc(CCNC(=O)N2CCN(c3ccccc3O)CC2)n1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is DFECZSADXAKPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-12-18-15(24-19-12)6-7-17-16(23)21-10-8-20(9-11-21)13-4-2-3-5-14(13)22/h2-5,22H,6-11H2,1H3,(H,17,23).
What are the key properties of 4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide?
4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 132969939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).