[4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone

C20H19N3O3S — CID 3232247

IUPAC[4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cccc(-c2ocnc2C(=O)N2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C20H19N3O3S/c1-14-4-2-5-15(12-14)18-17(21-13-26-18)20(25)23-9-7-22(8-10-23)19(24)16-6-3-11-27-16/h2-6,11-13H,7-10H2,1H3
InChIKeyULJUDLHMPIQIOM-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.31
Rot. Bonds3

About [4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 3232247) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is [4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID3232247
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name[4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCc1cccc(-c2ocnc2C(=O)N2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C20H19N3O3S/c1-14-4-2-5-15(12-14)18-17(21-13-26-18)20(25)23-9-7-22(8-10-23)19(24)16-6-3-11-27-16/h2-6,11-13H,7-10H2,1H3
InChIKeyULJUDLHMPIQIOM-UHFFFAOYSA-N
XLogP3.31
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 126469013
8-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201617
N-(3-methylphenyl)-4-(thiophene-2-carbonyl)piperazine-1-carbothioamide
CID 9218497
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(3-methylphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25398339
5-(3-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 3232259
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 29023726
3-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]pyrazine-2-carboxylic acid
CID 2810886
2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 30010182
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8710296
(5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110689240
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 3232247) is [4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1cccc(-c2ocnc2C(=O)N2CCN(C(=O)c3cccs3)CC2)c1.
What is the InChIKey of [4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ULJUDLHMPIQIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-4-2-5-15(12-14)18-17(21-13-26-18)20(25)23-9-7-22(8-10-23)19(24)16-6-3-11-27-16/h2-6,11-13H,7-10H2,1H3.
What are the key properties of [4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 381.46 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 3232247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).