methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate

C15H18N2O5 — CID 87020691

IUPACmethyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C15H18N2O5/c1-3-16(9-8-14(19)21-2)13(18)10-17-11-6-4-5-7-12(11)22-15(17)20/h4-7H,3,8-10H2,1-2H3
InChIKeyLMRRYJIIFGXBDT-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.01
Rot. Bonds6

About methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate

methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate (PubChem CID 87020691) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate
PubChem CID87020691
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C15H18N2O5/c1-3-16(9-8-14(19)21-2)13(18)10-17-11-6-4-5-7-12(11)22-15(17)20/h4-7H,3,8-10H2,1-2H3
InChIKeyLMRRYJIIFGXBDT-UHFFFAOYSA-N
XLogP1.01
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-propylamino]acetate
CID 87020688
N,N-dimethyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 672457
N-ethyl-N-(4-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949216
N-[2-(2-methoxyanilino)-2-oxoethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-propylacetamide
CID 25162663
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31339075
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 51201343
N-(2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)acetamide
CID 111122153
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 55476456
2-(5-amino-2-oxo-1,3-benzoxazol-3-yl)-N,N-diethylacetamide
CID 43447892
N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949234
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
phenyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 3605071

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate (CID 87020691) is methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate?
The InChIKey is LMRRYJIIFGXBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-3-16(9-8-14(19)21-2)13(18)10-17-11-6-4-5-7-12(11)22-15(17)20/h4-7H,3,8-10H2,1-2H3.
What are the key properties of methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate?
methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate has a molecular weight of 306.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 87020691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).