tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate

C20H25N3O5 — CID 110312683

IUPACtert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)no2)c1
InChIInChI=1S/C20H25N3O5/c1-20(2,3)27-19(25)23-10-8-22(9-11-23)18(24)16-13-17(28-21-16)14-6-5-7-15(12-14)26-4/h5-7,12-13H,8-11H2,1-4H3
InChIKeyBTCPDWFBVQCIRM-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.04
Rot. Bonds3

About tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate

tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate (PubChem CID 110312683) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
PubChem CID110312683
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Nametert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)no2)c1
InChIInChI=1S/C20H25N3O5/c1-20(2,3)27-19(25)23-10-8-22(9-11-23)18(24)16-13-17(28-21-16)14-6-5-7-15(12-14)26-4/h5-7,12-13H,8-11H2,1-4H3
InChIKeyBTCPDWFBVQCIRM-UHFFFAOYSA-N
XLogP3.04
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 110406502
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 146230052
[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313915
tert-butyl 3-(3-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 166597537
1-[9-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-6-methyl-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 133068032
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19323301
[2-(4-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 110356670
[2-(2-chlorophenyl)morpholin-4-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 110356617
methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
CID 166309978
[5-(3-methoxyphenyl)-1-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110336353

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate (CID 110312683) is tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate is COc1cccc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)no2)c1.
What is the InChIKey of tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is BTCPDWFBVQCIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-20(2,3)27-19(25)23-10-8-22(9-11-23)18(24)16-13-17(28-21-16)14-6-5-7-15(12-14)26-4/h5-7,12-13H,8-11H2,1-4H3.
What are the key properties of tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate?
tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 110312683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).