methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate

C16H17N3O5 — CID 166309978

IUPACmethyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)on2)CC1
InChIInChI=1S/C16H17N3O5/c1-23-16(22)19-8-6-18(7-9-19)15(21)13-10-14(24-17-13)11-2-4-12(20)5-3-11/h2-5,10,20H,6-9H2,1H3
InChIKeyKAQQWRRNWGDQBL-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.57
Rot. Bonds2

About methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate

methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate (PubChem CID 166309978) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
PubChem CID166309978
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Namemethyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)on2)CC1
InChIInChI=1S/C16H17N3O5/c1-23-16(22)19-8-6-18(7-9-19)15(21)13-10-14(24-17-13)11-2-4-12(20)5-3-11/h2-5,10,20H,6-9H2,1H3
InChIKeyKAQQWRRNWGDQBL-UHFFFAOYSA-N
XLogP1.57
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]methanone
CID 135573124
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
methyl 4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110645755
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 1093778
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562656
tert-butyl 4-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate
CID 110312683
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 51279135

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate (CID 166309978) is methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2cc(-c3ccc(O)cc3)on2)CC1.
What is the InChIKey of methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is KAQQWRRNWGDQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-23-16(22)19-8-6-18(7-9-19)15(21)13-10-14(24-17-13)11-2-4-12(20)5-3-11/h2-5,10,20H,6-9H2,1H3.
What are the key properties of methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate?
methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 331.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(4-hydroxyphenyl)-1,2-oxazole-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 166309978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).