[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate

C20H20N2O5 — CID 4773315

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OCC(=O)Nc3cc(C)on3)ccc2c1
InChIInChI=1S/C20H20N2O5/c1-12-8-18(22-27-12)21-19(23)11-26-20(24)13(2)14-4-5-16-10-17(25-3)7-6-15(16)9-14/h4-10,13H,11H2,1-3H3,(H,21,22,23)
InChIKeyUBHHYXRYZREHCU-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.43
Rot. Bonds6

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 4773315) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID4773315
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc(C(C)C(=O)OCC(=O)Nc3cc(C)on3)ccc2c1
InChIInChI=1S/C20H20N2O5/c1-12-8-18(22-27-12)21-19(23)11-26-20(24)13(2)14-4-5-16-10-17(25-3)7-6-15(16)9-14/h4-10,13H,11H2,1-3H3,(H,21,22,23)
InChIKeyUBHHYXRYZREHCU-UHFFFAOYSA-N
XLogP3.43
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951841
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951836
[2-(5-chloro-2-methylanilino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951871
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952748
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952145
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951919
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952389
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561076
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951977
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8949491
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951950

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate (CID 4773315) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc(C(C)C(=O)OCC(=O)Nc3cc(C)on3)ccc2c1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is UBHHYXRYZREHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12-8-18(22-27-12)21-19(23)11-26-20(24)13(2)14-4-5-16-10-17(25-3)7-6-15(16)9-14/h4-10,13H,11H2,1-3H3,(H,21,22,23).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 368.39 g/mol, XLogP of 3.43, 6 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] 2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 4773315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).