2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C24H31N5O3 — CID 10203466

IUPAC2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(CC(O)CNc2nc3ccccc3o2)CC1
InChIInChI=1S/C24H31N5O3/c1-17-6-5-7-18(2)23(17)27-22(31)16-29-12-10-28(11-13-29)15-19(30)14-25-24-26-20-8-3-4-9-21(20)32-24/h3-9,19,30H,10-16H2,1-2H3,(H,25,26)(H,27,31)
InChIKeyNFJKYZINQHURHS-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.47
Rot. Bonds8

About 2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 10203466) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID10203466
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(CC(O)CNc2nc3ccccc3o2)CC1
InChIInChI=1S/C24H31N5O3/c1-17-6-5-7-18(2)23(17)27-22(31)16-29-12-10-28(11-13-29)15-19(30)14-25-24-26-20-8-3-4-9-21(20)32-24/h3-9,19,30H,10-16H2,1-2H3,(H,25,26)(H,27,31)
InChIKeyNFJKYZINQHURHS-UHFFFAOYSA-N
XLogP2.47
TPSA93.87 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(1,3-benzothiazol-2-yloxy)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 12073485
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide
CID 142082035
N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
CID 45281353
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide
CID 12052935
N-(2,6-dimethylphenyl)-2-[4-[4-(2-fluorophenyl)-2-hydroxybutyl]piperazin-1-yl]acetamide
CID 10223491
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide
CID 25160824
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
2-[4-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 39951217
2,3-dihydroxybutanedioic acid;N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 45280732
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide
CID 69363510
2-[4-[4-(4-tert-butylphenoxy)-2-hydroxybutyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 23449867
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperazin-1-yl]acetamide;molecular hydrogen
CID 162137892

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 10203466) is 2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)CNc2nc3ccccc3o2)CC1.
What is the InChIKey of 2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is NFJKYZINQHURHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-17-6-5-7-18(2)23(17)27-22(31)16-29-12-10-28(11-13-29)15-19(30)14-25-24-26-20-8-3-4-9-21(20)32-24/h3-9,19,30H,10-16H2,1-2H3,(H,25,26)(H,27,31).
What are the key properties of 2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 437.54 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 10203466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).