N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride

C22H25ClN4O3 — CID 167333386

IUPACN-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1C.Cl
InChIInChI=1S/C22H24N4O3.ClH/c1-14-12-16(6-7-19(14)24-15(2)27)17-4-3-5-18(22(17)28)20-13-21(25-29-20)26-10-8-23-9-11-26;/h3-7,12-13,23,28H,8-11H2,1-2H3,(H,24,27);1H
InChIKeyJQFVCAPJOYLNTI-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.81
Rot. Bonds4

About N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride

N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride (PubChem CID 167333386) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride
PubChem CID167333386
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC NameN-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1C.Cl
InChIInChI=1S/C22H24N4O3.ClH/c1-14-12-16(6-7-19(14)24-15(2)27)17-4-3-5-18(22(17)28)20-13-21(25-29-20)26-10-8-23-9-11-26;/h3-7,12-13,23,28H,8-11H2,1-2H3,(H,24,27);1H
InChIKeyJQFVCAPJOYLNTI-UHFFFAOYSA-N
XLogP3.81
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride (CID 167333386) is N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(-c2cccc(-c3cc(N4CCNCC4)no3)c2O)cc1C.Cl.
What is the InChIKey of N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride?
The InChIKey is JQFVCAPJOYLNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3.ClH/c1-14-12-16(6-7-19(14)24-15(2)27)17-4-3-5-18(22(17)28)20-13-21(25-29-20)26-10-8-23-9-11-26;/h3-7,12-13,23,28H,8-11H2,1-2H3,(H,24,27);1H.
What are the key properties of N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride?
N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride has a molecular weight of 428.92 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(3-piperazin-1-yl-1,2-oxazol-5-yl)phenyl]-2-methylphenyl]acetamide;hydrochloride is sourced from PubChem (CID 167333386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).