(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H20N4O2 — CID 2813463

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H20N4O2/c1-15-18(19(22-26-15)16-7-3-2-4-8-16)20(25)24-13-11-23(12-14-24)17-9-5-6-10-21-17/h2-10H,11-14H2,1H3
InChIKeyCZFTXWBABZSHJI-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.01
Rot. Bonds3

About (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 2813463) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID2813463
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H20N4O2/c1-15-18(19(22-26-15)16-7-3-2-4-8-16)20(25)24-13-11-23(12-14-24)17-9-5-6-10-21-17/h2-10H,11-14H2,1H3
InChIKeyCZFTXWBABZSHJI-UHFFFAOYSA-N
XLogP3.01
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropyridin-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1363764
5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
5-methyl-6-phenyl-3-(pyridin-4-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579326
2-[4-[2-Ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 165401423
5-methyl-N-(6-methylpyridin-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1122423
3-(2-chlorophenyl)-5-methyl-N-(4-methylpyridin-2-yl)-1,2-oxazole-4-carboxamide
CID 798822
3,5-dimethyl-N-2-pyridinyl-4-isoxazolecarboxamide
CID 1244041
5-methyl-6-phenyl-3-(pyridin-2-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579324
5-methyl-6-phenyl-3-(pyridin-3-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579325
5-methyl-3-phenyl-N-(pyridin-3-yl)-1,2-oxazole-4-carboxamide
CID 655003
2-{5-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl}pyridine
CID 666253
3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-YL 4-pyrimidin-2-ylpiperazinyl ketone
CID 1094870

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 2813463) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is CZFTXWBABZSHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-18(19(22-26-15)16-7-3-2-4-8-16)20(25)24-13-11-23(12-14-24)17-9-5-6-10-21-17/h2-10H,11-14H2,1H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 348.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2813463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).