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

C17H19N3O4 — CID 110328432

IUPAC(2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)c2cc(C)on2)CC1
InChIInChI=1S/C17H19N3O4/c1-12-11-14(18-24-12)17(22)20-9-7-19(8-10-20)16(21)13-5-3-4-6-15(13)23-2/h3-6,11H,7-10H2,1-2H3
InChIKeyCMYXGZFHHIFBLO-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.59
Rot. Bonds3

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

(2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 110328432) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID110328432
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)c2cc(C)on2)CC1
InChIInChI=1S/C17H19N3O4/c1-12-11-14(18-24-12)17(22)20-9-7-19(8-10-20)16(21)13-5-3-4-6-15(13)23-2/h3-6,11H,7-10H2,1-2H3
InChIKeyCMYXGZFHHIFBLO-UHFFFAOYSA-N
XLogP1.59
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72865582
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
(2-methoxyphenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34555816
(2,5-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3852997
[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 110645702
(5-methyl-1,2-oxazol-3-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 7162064
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1148027
methyl 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110645755
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
(2-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755273

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone (CID 110328432) is (2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(C(=O)c2cc(C)on2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is CMYXGZFHHIFBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12-11-14(18-24-12)17(22)20-9-7-19(8-10-20)16(21)13-5-3-4-6-15(13)23-2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 329.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110328432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).