methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate

C16H19N3O5 — CID 97185103

IUPACmethyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)Nc1cc(C)on1)c1ccc(OC)cc1
InChIInChI=1S/C16H19N3O5/c1-10-8-14(19-24-10)18-16(21)17-13(9-15(20)23-3)11-4-6-12(22-2)7-5-11/h4-8,13H,9H2,1-3H3,(H2,17,18,19,21)/t13-/m1/s1
InChIKeyOIQVYVFETWTNJK-CYBMUJFWSA-N
MW333.34 g/mol
LogP2.42
Rot. Bonds6

About methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate

methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate (PubChem CID 97185103) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate
PubChem CID97185103
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Namemethyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)Nc1cc(C)on1)c1ccc(OC)cc1
InChIInChI=1S/C16H19N3O5/c1-10-8-14(19-24-10)18-16(21)17-13(9-15(20)23-3)11-4-6-12(22-2)7-5-11/h4-8,13H,9H2,1-3H3,(H2,17,18,19,21)/t13-/m1/s1
InChIKeyOIQVYVFETWTNJK-CYBMUJFWSA-N
XLogP2.42
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
methyl (3S)-3-(4-chlorophenyl)-3-[(3-methyl-1,2-oxazol-5-yl)carbamoylamino]propanoate
CID 95299978
methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 51110901
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94016916
1-[(1R)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94031272
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757
methyl 3-(4-methoxyphenyl)-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanoate
CID 134015779
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 4773315
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-3-(5,6-dimethylpyridazin-3-yl)urea
CID 122132883
3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]butanamide
CID 131961427
N-(4-methoxyphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 40589293

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate?
The IUPAC name of methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate (CID 97185103) is methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate.
What is the SMILES notation for methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate?
The canonical SMILES for methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate is COC(=O)C[C@@H](NC(=O)Nc1cc(C)on1)c1ccc(OC)cc1.
What is the InChIKey of methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate?
The InChIKey is OIQVYVFETWTNJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-10-8-14(19-24-10)18-16(21)17-13(9-15(20)23-3)11-4-6-12(22-2)7-5-11/h4-8,13H,9H2,1-3H3,(H2,17,18,19,21)/t13-/m1/s1.
What are the key properties of methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate?
methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate has a molecular weight of 333.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]propanoate is sourced from PubChem (CID 97185103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).