methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate

C18H21N5O6 — CID 45495869

IUPACmethyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NCC(=O)NC(C)C)n1
InChIInChI=1S/C18H21N5O6/c1-10(2)20-15(25)9-19-16(26)17-22-13(23-29-17)8-14(24)21-12-7-5-4-6-11(12)18(27)28-3/h4-7,10H,8-9H2,1-3H3,(H,19,26)(H,20,25)(H,21,24)
InChIKeyXCUDCYLQQGPSAR-UHFFFAOYSA-N
MW403.40 g/mol
LogP0.29
Rot. Bonds8

About methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate

methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate (PubChem CID 45495869) has the molecular formula C18H21N5O6 and a molecular weight of 403.40 g/mol. Its IUPAC name is methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate
PubChem CID45495869
Molecular FormulaC18H21N5O6
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Namemethyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NCC(=O)NC(C)C)n1
InChIInChI=1S/C18H21N5O6/c1-10(2)20-15(25)9-19-16(26)17-22-13(23-29-17)8-14(24)21-12-7-5-4-6-11(12)18(27)28-3/h4-7,10H,8-9H2,1-3H3,(H,19,26)(H,20,25)(H,21,24)
InChIKeyXCUDCYLQQGPSAR-UHFFFAOYSA-N
XLogP0.29
TPSA152.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

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methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
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methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
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methyl 2-[[2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzoate
CID 9397461
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
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methyl 2-[[3-(butan-2-ylamino)-3-oxopropanoyl]amino]benzoate
CID 108941876
methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate
CID 35727693
2-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
methyl 2-[[3-[(2-methylphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108945478

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate (CID 45495869) is methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NCC(=O)NC(C)C)n1.
What is the InChIKey of methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate?
The InChIKey is XCUDCYLQQGPSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O6/c1-10(2)20-15(25)9-19-16(26)17-22-13(23-29-17)8-14(24)21-12-7-5-4-6-11(12)18(27)28-3/h4-7,10H,8-9H2,1-3H3,(H,19,26)(H,20,25)(H,21,24).
What are the key properties of methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate?
methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate has a molecular weight of 403.40 g/mol, XLogP of 0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate is sourced from PubChem (CID 45495869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).