tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate

C16H26N4O4 — CID 30666653

IUPACtert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate
SMILESCc1cc(NC(=O)CN2CCN(CC(=O)OC(C)(C)C)CC2)no1
InChIInChI=1S/C16H26N4O4/c1-12-9-13(18-24-12)17-14(21)10-19-5-7-20(8-6-19)11-15(22)23-16(2,3)4/h9H,5-8,10-11H2,1-4H3,(H,17,18,21)
InChIKeyAMQRTTJEOVDXIJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.88
Rot. Bonds5

About tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate

tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate (PubChem CID 30666653) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate
PubChem CID30666653
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Nametert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate
SMILESCc1cc(NC(=O)CN2CCN(CC(=O)OC(C)(C)C)CC2)no1
InChIInChI=1S/C16H26N4O4/c1-12-9-13(18-24-12)17-14(21)10-19-5-7-20(8-6-19)11-15(22)23-16(2,3)4/h9H,5-8,10-11H2,1-4H3,(H,17,18,21)
InChIKeyAMQRTTJEOVDXIJ-UHFFFAOYSA-N
XLogP0.88
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate (CID 30666653) is tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate is Cc1cc(NC(=O)CN2CCN(CC(=O)OC(C)(C)C)CC2)no1.
What is the InChIKey of tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate?
The InChIKey is AMQRTTJEOVDXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-12-9-13(18-24-12)17-14(21)10-19-5-7-20(8-6-19)11-15(22)23-16(2,3)4/h9H,5-8,10-11H2,1-4H3,(H,17,18,21).
What are the key properties of tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate?
tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate has a molecular weight of 338.41 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate is sourced from PubChem (CID 30666653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).