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

C20H18N4O3 — CID 166181719

IUPACphenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1
InChIInChI=1S/C20H18N4O3/c25-19(15-5-2-1-3-6-15)23-9-11-24(12-10-23)20(26)17-13-18(27-22-17)16-7-4-8-21-14-16/h1-8,13-14H,9-12H2
InChIKeyLPRJWJUONQOSLB-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.33
Rot. Bonds3

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

phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 166181719) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID166181719
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Namephenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1
InChIInChI=1S/C20H18N4O3/c25-19(15-5-2-1-3-6-15)23-9-11-24(12-10-23)20(26)17-13-18(27-22-17)16-7-4-8-21-14-16/h1-8,13-14H,9-12H2
InChIKeyLPRJWJUONQOSLB-UHFFFAOYSA-N
XLogP2.33
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
(4-benzhydrylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 50760121
(5-pyridin-3-yl-1,2-oxazol-3-yl)-thiomorpholin-4-ylmethanone
CID 87019769
(5-pyridin-3-yl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334447
(7-phenyl-1,4-thiazepan-4-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 90629503
N-methyl-2-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]acetamide
CID 87017159
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991
(4-benzylsulfonylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 119105556
(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 35036906
[4-(2-ethoxyphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 46458534
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 53032686
N-phenyl-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)azetidine-3-sulfonamide
CID 75476237

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone (CID 166181719) is phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(C(=O)c2cc(-c3cccnc3)on2)CC1.
What is the InChIKey of phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is LPRJWJUONQOSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-19(15-5-2-1-3-6-15)23-9-11-24(12-10-23)20(26)17-13-18(27-22-17)16-7-4-8-21-14-16/h1-8,13-14H,9-12H2.
What are the key properties of phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 362.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 166181719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).