[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C26H24N4O2 — CID 17446724

IUPAC[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C26H24N4O2/c31-26(30-16-14-29(15-17-30)19-20-10-12-27-13-11-20)23-9-5-4-8-22(23)25-28-18-24(32-25)21-6-2-1-3-7-21/h1-13,18H,14-17,19H2
InChIKeyVDWYRNNELNYKME-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.36
Rot. Bonds5

About [2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 17446724) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is [2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID17446724
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C26H24N4O2/c31-26(30-16-14-29(15-17-30)19-20-10-12-27-13-11-20)23-9-5-4-8-22(23)25-28-18-24(32-25)21-6-2-1-3-7-21/h1-13,18H,14-17,19H2
InChIKeyVDWYRNNELNYKME-UHFFFAOYSA-N
XLogP4.36
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid
CID 119166332
N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 31800185
2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 30887702
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
(3-ethylpiperidin-1-yl)-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]methanone
CID 55654983
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-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide
CID 55718193
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(1,3-diphenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226122

Frequently Asked Questions

What is the IUPAC name of [2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 17446724) is [2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of [2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is VDWYRNNELNYKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c31-26(30-16-14-29(15-17-30)19-20-10-12-27-13-11-20)23-9-5-4-8-22(23)25-28-18-24(32-25)21-6-2-1-3-7-21/h1-13,18H,14-17,19H2.
What are the key properties of [2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 424.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17446724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).