[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate

C20H18N2O5 — CID 2398944

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate
SMILESCc1cc(NC(=O)COC(=O)c2cccc(OCc3ccccc3)c2)no1
InChIInChI=1S/C20H18N2O5/c1-14-10-18(22-27-14)21-19(23)13-26-20(24)16-8-5-9-17(11-16)25-12-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,21,22,23)
InChIKeyXRHCCVXGNXSWEB-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.36
Rot. Bonds7

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate (PubChem CID 2398944) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate
PubChem CID2398944
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate
SMILESCc1cc(NC(=O)COC(=O)c2cccc(OCc3ccccc3)c2)no1
InChIInChI=1S/C20H18N2O5/c1-14-10-18(22-27-14)21-19(23)13-26-20(24)16-8-5-9-17(11-16)25-12-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,21,22,23)
InChIKeyXRHCCVXGNXSWEB-UHFFFAOYSA-N
XLogP3.36
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate (CID 2398944) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate is Cc1cc(NC(=O)COC(=O)c2cccc(OCc3ccccc3)c2)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate?
The InChIKey is XRHCCVXGNXSWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-14-10-18(22-27-14)21-19(23)13-26-20(24)16-8-5-9-17(11-16)25-12-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,21,22,23).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate has a molecular weight of 366.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 3-phenylmethoxybenzoate is sourced from PubChem (CID 2398944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).