ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate

C15H20N2O4 — CID 65297666

IUPACethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate
SMILESCCOC(=O)C(C)(C)CC(N)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H20N2O4/c1-4-20-13(18)15(2,3)8-10(16)9-5-6-11-12(7-9)21-14(19)17-11/h5-7,10H,4,8,16H2,1-3H3,(H,17,19)
InChIKeyDLCZLDCDWOOBFF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.10
Rot. Bonds5

About ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate

ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate (PubChem CID 65297666) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate
PubChem CID65297666
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate
SMILESCCOC(=O)C(C)(C)CC(N)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C15H20N2O4/c1-4-20-13(18)15(2,3)8-10(16)9-5-6-11-12(7-9)21-14(19)17-11/h5-7,10H,4,8,16H2,1-3H3,(H,17,19)
InChIKeyDLCZLDCDWOOBFF-UHFFFAOYSA-N
XLogP2.10
TPSA98.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[2-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)ethoxy]acetate
CID 61328772
5-(1,3-diamino-3-methylbutyl)-3H-1,3-benzoxazol-2-one
CID 116933612
6-(1,4-diamino-4-methylpentyl)-3H-1,3-benzoxazol-2-one
CID 116934795
6-(1,2-diaminoethyl)-3H-1,3-benzoxazol-2-one
CID 116855514
2-amino-N-methyl-2-(2-oxo-3H-1,3-benzoxazol-6-yl)acetohydrazide
CID 116848980
6-(1-hydroxy-2-oxobutyl)-3H-1,3-benzoxazol-2-one
CID 116835871
6-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 116949062
6-[1-amino-2-methyl-2-(methylamino)propyl]-3H-1,3-benzoxazol-2-one
CID 116938938
6-(1-amino-2-methylpropyl)-3H-1,3-benzoxazol-2-one
CID 43139983
6-(1-bromo-2-oxopropyl)-3H-1,3-benzoxazol-2-one
CID 116859829
6-[(4-ethoxyphenyl)-hydroxymethyl]-3H-1,3-benzoxazol-2-one
CID 61087841
6-(1-amino-3-methylbutan-2-yl)-3H-1,3-benzoxazol-2-one
CID 82494013

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate?
The IUPAC name of ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate (CID 65297666) is ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate.
What is the SMILES notation for ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate?
The canonical SMILES for ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate is CCOC(=O)C(C)(C)CC(N)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate?
The InChIKey is DLCZLDCDWOOBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-20-13(18)15(2,3)8-10(16)9-5-6-11-12(7-9)21-14(19)17-11/h5-7,10H,4,8,16H2,1-3H3,(H,17,19).
What are the key properties of ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate?
ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate has a molecular weight of 292.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate is sourced from PubChem (CID 65297666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).