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

C20H19N3O4S — CID 126469013

IUPAC[4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1cccc(-c2ocnc2C(=O)N2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C20H19N3O4S/c1-26-15-5-2-4-14(12-15)18-17(21-13-27-18)20(25)23-9-7-22(8-10-23)19(24)16-6-3-11-28-16/h2-6,11-13H,7-10H2,1H3
InChIKeyGMXGTZNUDBXOSW-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.01
Rot. Bonds4

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

[4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 126469013) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is [4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID126469013
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name[4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1cccc(-c2ocnc2C(=O)N2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C20H19N3O4S/c1-26-15-5-2-4-14(12-15)18-17(21-13-27-18)20(25)23-9-7-22(8-10-23)19(24)16-6-3-11-28-16/h2-6,11-13H,7-10H2,1H3
InChIKeyGMXGTZNUDBXOSW-UHFFFAOYSA-N
XLogP3.01
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 3232247
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
2-(3-methoxyphenyl)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798155
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 38125181
6-methoxy-1'-(thiophene-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735730
[4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 119065113
N-(3,5-dimethylphenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963660
[4-(2-methoxyethyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 16674237
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 97316304
5-(3-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide
CID 51492688
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 126469013) is [4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone is COc1cccc(-c2ocnc2C(=O)N2CCN(C(=O)c3cccs3)CC2)c1.
What is the InChIKey of [4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is GMXGTZNUDBXOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-26-15-5-2-4-14(12-15)18-17(21-13-27-18)20(25)23-9-7-22(8-10-23)19(24)16-6-3-11-28-16/h2-6,11-13H,7-10H2,1H3.
What are the key properties of [4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 397.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-methoxyphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 126469013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).