2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide

C26H25ClN4O2 — CID 24823989

IUPAC2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C26H25ClN4O2/c27-21-11-12-23-22(17-21)28-26(33-23)29-24(32)18-30-13-15-31(16-14-30)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,25H,13-16,18H2,(H,28,29,32)
InChIKeyDSLUBKMUYGWWLC-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.83
Rot. Bonds6

About 2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide

2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide (PubChem CID 24823989) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide
PubChem CID24823989
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide
SMILESO=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1nc2cc(Cl)ccc2o1
InChIInChI=1S/C26H25ClN4O2/c27-21-11-12-23-22(17-21)28-26(33-23)29-24(32)18-30-13-15-31(16-14-30)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,25H,13-16,18H2,(H,28,29,32)
InChIKeyDSLUBKMUYGWWLC-UHFFFAOYSA-N
XLogP4.83
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 15143638
N-(5-chloro-1,3-benzoxazol-2-yl)-5-[4-(4-chlorophenyl)piperazin-1-yl]pentanamide;hydrochloride
CID 122186400
2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetamide
CID 92573658
2-(4-benzhydrylpiperazin-1-yl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 4235260
2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 10432016
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
N-(5-chloro-1,3-benzoxazol-2-yl)-2-(1H-indol-3-yl)acetamide
CID 17402933
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
CID 2653850
2-(4-benzhydrylpiperazin-1-yl)-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;oxalic acid
CID 2854771
2-[4-[3-(1,3-benzoxazol-2-ylamino)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 10203466
2-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]pyridine-4-carboxylic acid
CID 89474863
2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 24823686

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide?
The IUPAC name of 2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide (CID 24823989) is 2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide?
The canonical SMILES for 2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide is O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1nc2cc(Cl)ccc2o1.
What is the InChIKey of 2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide?
The InChIKey is DSLUBKMUYGWWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c27-21-11-12-23-22(17-21)28-26(33-23)29-24(32)18-30-13-15-31(16-14-30)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,25H,13-16,18H2,(H,28,29,32).
What are the key properties of 2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide?
2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide has a molecular weight of 460.97 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylpiperazin-1-yl)-N-(5-chloro-1,3-benzoxazol-2-yl)acetamide is sourced from PubChem (CID 24823989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).