tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate

C16H26N4O4 — CID 95777075

IUPACtert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCc1cc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)on1
InChIInChI=1S/C16H26N4O4/c1-11-8-14(24-18-11)17-13(21)10-19-6-7-20(12(2)9-19)15(22)23-16(3,4)5/h8,12H,6-7,9-10H2,1-5H3,(H,17,21)/t12-/m0/s1
InChIKeyVVKZZZIWWGPHLH-LBPRGKRZSA-N
MW338.41 g/mol
LogP1.86
Rot. Bonds3

About tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate

tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 95777075) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID95777075
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Nametert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCc1cc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)on1
InChIInChI=1S/C16H26N4O4/c1-11-8-14(24-18-11)17-13(21)10-19-6-7-20(12(2)9-19)15(22)23-16(3,4)5/h8,12H,6-7,9-10H2,1-5H3,(H,17,21)/t12-/m0/s1
InChIKeyVVKZZZIWWGPHLH-LBPRGKRZSA-N
XLogP1.86
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (CID 95777075) is tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is Cc1cc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)on1.
What is the InChIKey of tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is VVKZZZIWWGPHLH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-11-8-14(24-18-11)17-13(21)10-19-6-7-20(12(2)9-19)15(22)23-16(3,4)5/h8,12H,6-7,9-10H2,1-5H3,(H,17,21)/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 95777075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).