methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate

C16H18N2O6 — CID 24511790

IUPACmethyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C(=O)Nc2cc(C)on2)c(OC)c1
InChIInChI=1S/C16H18N2O6/c1-9-7-14(18-24-9)17-15(19)10(2)23-12-6-5-11(16(20)22-4)8-13(12)21-3/h5-8,10H,1-4H3,(H,17,18,19)
InChIKeyVOYKLVVPVBQHBV-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.18
Rot. Bonds6

About methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate

methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate (PubChem CID 24511790) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate
PubChem CID24511790
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Namemethyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C(=O)Nc2cc(C)on2)c(OC)c1
InChIInChI=1S/C16H18N2O6/c1-9-7-14(18-24-9)17-15(19)10(2)23-12-6-5-11(16(20)22-4)8-13(12)21-3/h5-8,10H,1-4H3,(H,17,18,19)
InChIKeyVOYKLVVPVBQHBV-UHFFFAOYSA-N
XLogP2.18
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate with MolForge

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Related Compounds

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate
CID 40674484
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 8985472
methyl 4-[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]oxy-3-methoxybenzoate
CID 8729040
methyl 3-methoxy-4-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8729011
methyl 3-methoxy-4-[1-(3-methyl-1,2-oxazol-5-yl)ethoxy]benzoate
CID 117053368
2-(2-acetyl-5-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51233960
(2S)-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8555603
(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176243
(2S)-2-(7-methoxynaphthalen-2-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8949491
(2R)-2-(2-chloro-4-fluorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40972075
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462
2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4512597

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate (CID 24511790) is methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate is COC(=O)c1ccc(OC(C)C(=O)Nc2cc(C)on2)c(OC)c1.
What is the InChIKey of methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is VOYKLVVPVBQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-9-7-14(18-24-9)17-15(19)10(2)23-12-6-5-11(16(20)22-4)8-13(12)21-3/h5-8,10H,1-4H3,(H,17,18,19).
What are the key properties of methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate?
methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 334.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 24511790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).