ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate

C15H24N4O5 — CID 3332768

IUPACethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(=O)Nc1cc(C)on1)CC(C)C
InChIInChI=1S/C15H24N4O5/c1-5-23-14(21)7-16-15(22)19(8-10(2)3)9-13(20)17-12-6-11(4)24-18-12/h6,10H,5,7-9H2,1-4H3,(H,16,22)(H,17,18,20)
InChIKeyVATKCFSFDXGVEF-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.15
Rot. Bonds8

About ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate

ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate (PubChem CID 3332768) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
PubChem CID3332768
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Nameethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(=O)Nc1cc(C)on1)CC(C)C
InChIInChI=1S/C15H24N4O5/c1-5-23-14(21)7-16-15(22)19(8-10(2)3)9-13(20)17-12-6-11(4)24-18-12/h6,10H,5,7-9H2,1-4H3,(H,16,22)(H,17,18,20)
InChIKeyVATKCFSFDXGVEF-UHFFFAOYSA-N
XLogP1.15
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate (CID 3332768) is ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(CC(=O)Nc1cc(C)on1)CC(C)C.
What is the InChIKey of ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate?
The InChIKey is VATKCFSFDXGVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5/c1-5-23-14(21)7-16-15(22)19(8-10(2)3)9-13(20)17-12-6-11(4)24-18-12/h6,10H,5,7-9H2,1-4H3,(H,16,22)(H,17,18,20).
What are the key properties of ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate?
ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate has a molecular weight of 340.38 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate is sourced from PubChem (CID 3332768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).