2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C27H30N4O3 — CID 30887702

IUPAC2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCN(CC(=O)N4CCCC4)CC3)o2)cc1
InChIInChI=1S/C27H30N4O3/c1-20-8-10-21(11-9-20)24-18-28-26(34-24)22-6-2-3-7-23(22)27(33)31-16-14-29(15-17-31)19-25(32)30-12-4-5-13-30/h2-3,6-11,18H,4-5,12-17,19H2,1H3
InChIKeySSVJGXRSCFVTDB-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.70
Rot. Bonds5

About 2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 30887702) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID30887702
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCN(CC(=O)N4CCCC4)CC3)o2)cc1
InChIInChI=1S/C27H30N4O3/c1-20-8-10-21(11-9-20)24-18-28-26(34-24)22-6-2-3-7-23(22)27(33)31-16-14-29(15-17-31)19-25(32)30-12-4-5-13-30/h2-3,6-11,18H,4-5,12-17,19H2,1H3
InChIKeySSVJGXRSCFVTDB-UHFFFAOYSA-N
XLogP3.70
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 31800185
[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
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride
CID 120819402
N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 78861411
(3-ethylpiperidin-1-yl)-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]methanone
CID 55654983
[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 100504958
1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-3-carboxamide
CID 71901280
(4-benzhydrylpiperazin-1-yl)-[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]methanone
CID 100505048
N-benzyl-2-[4-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]acetamide
CID 36810353
N-ethyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 134049112
[2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 100508247

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 30887702) is 2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is Cc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCN(CC(=O)N4CCCC4)CC3)o2)cc1.
What is the InChIKey of 2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is SSVJGXRSCFVTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-20-8-10-21(11-9-20)24-18-28-26(34-24)22-6-2-3-7-23(22)27(33)31-16-14-29(15-17-31)19-25(32)30-12-4-5-13-30/h2-3,6-11,18H,4-5,12-17,19H2,1H3.
What are the key properties of 2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 458.56 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 30887702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).