benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate

C16H19N3O3 — CID 110645892

IUPACbenzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate
SMILESCc1cc(N2CCN(C(=O)OCc3ccccc3)CC2)no1
InChIInChI=1S/C16H19N3O3/c1-13-11-15(17-22-13)18-7-9-19(10-8-18)16(20)21-12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3
InChIKeyVOFSBBKOXFCCCU-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.44
Rot. Bonds3

About benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate

benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate (PubChem CID 110645892) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate
PubChem CID110645892
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namebenzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate
SMILESCc1cc(N2CCN(C(=O)OCc3ccccc3)CC2)no1
InChIInChI=1S/C16H19N3O3/c1-13-11-15(17-22-13)18-7-9-19(10-8-18)16(20)21-12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3
InChIKeyVOFSBBKOXFCCCU-UHFFFAOYSA-N
XLogP2.44
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110645862
benzyl 4-[5-(2H-tetrazol-5-yl)-1,2-oxazol-3-yl]piperazine-1-carboxylate
CID 58539789
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate
CID 133397587
benzyl 4-(6-methyl-5-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 133397615
1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113081452
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
benzyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 102257694
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
benzyl piperidine-1-carboxylate
CID 158057698

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate (CID 110645892) is benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate is Cc1cc(N2CCN(C(=O)OCc3ccccc3)CC2)no1.
What is the InChIKey of benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate?
The InChIKey is VOFSBBKOXFCCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-13-11-15(17-22-13)18-7-9-19(10-8-18)16(20)21-12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3.
What are the key properties of benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate?
benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 110645892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).