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

C20H20N4O3 — CID 108569421

IUPAC[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)no1
InChIInChI=1S/C20H20N4O3/c1-15-14-18(21-27-15)20(26)24-12-10-23(11-13-24)19(25)16-4-6-17(7-5-16)22-8-2-3-9-22/h2-9,14H,10-13H2,1H3
InChIKeyQSNVWGKGAVUZOO-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.37
Rot. Bonds3

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

[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 108569421) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID108569421
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)no1
InChIInChI=1S/C20H20N4O3/c1-15-14-18(21-27-15)20(26)24-12-10-23(11-13-24)19(25)16-4-6-17(7-5-16)22-8-2-3-9-22/h2-9,14H,10-13H2,1H3
InChIKeyQSNVWGKGAVUZOO-UHFFFAOYSA-N
XLogP2.37
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 51076533
[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 110645702
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110347050
(3-bromophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 110328430
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
1,3-benzodioxol-5-yl-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110645745
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 33003765
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110310794
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108533978

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 108569421) is [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is Cc1cc(C(=O)N2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)no1.
What is the InChIKey of [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is QSNVWGKGAVUZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-15-14-18(21-27-15)20(26)24-12-10-23(11-13-24)19(25)16-4-6-17(7-5-16)22-8-2-3-9-22/h2-9,14H,10-13H2,1H3.
What are the key properties of [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 364.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 108569421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).