N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide

C30H30N4O3 — CID 31800185

IUPACN-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C30H30N4O3/c1-2-22-10-6-9-15-26(22)32-28(35)21-33-16-18-34(19-17-33)30(36)25-14-8-7-13-24(25)29-31-20-27(37-29)23-11-4-3-5-12-23/h3-15,20H,2,16-19,21H2,1H3,(H,32,35)
InChIKeyINWIYLGNTIVEKZ-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.97
Rot. Bonds7

About N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 31800185) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide
PubChem CID31800185
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C30H30N4O3/c1-2-22-10-6-9-15-26(22)32-28(35)21-33-16-18-34(19-17-33)30(36)25-14-8-7-13-24(25)29-31-20-27(37-29)23-11-4-3-5-12-23/h3-15,20H,2,16-19,21H2,1H3,(H,32,35)
InChIKeyINWIYLGNTIVEKZ-UHFFFAOYSA-N
XLogP4.97
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 30887702
[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 17446724
1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid
CID 119166332
N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide
CID 36810353
(4-benzhydrylpiperazin-1-yl)-[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]methanone
CID 100505048
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 27852116
(3-ethylpiperidin-1-yl)-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]methanone
CID 55654983
N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide
CID 55718193
[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 100504958
2-[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55576311
N-(2-ethylphenyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 32709303
N-(2-ethylphenyl)-2-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazin-1-yl]acetamide
CID 27851779

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide (CID 31800185) is N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is INWIYLGNTIVEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-2-22-10-6-9-15-26(22)32-28(35)21-33-16-18-34(19-17-33)30(36)25-14-8-7-13-24(25)29-31-20-27(37-29)23-11-4-3-5-12-23/h3-15,20H,2,16-19,21H2,1H3,(H,32,35).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 494.60 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31800185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).