methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate

C15H20N2O4 — CID 62298655

IUPACmethyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate
SMILESCCCn1c(=O)oc2cc(C(N)CCC(=O)OC)ccc21
InChIInChI=1S/C15H20N2O4/c1-3-8-17-12-6-4-10(9-13(12)21-15(17)19)11(16)5-7-14(18)20-2/h4,6,9,11H,3,5,7-8,16H2,1-2H3
InChIKeyGQGIYUYBIVSNKI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.96
Rot. Bonds6

About methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate

methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate (PubChem CID 62298655) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate
PubChem CID62298655
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate
SMILESCCCn1c(=O)oc2cc(C(N)CCC(=O)OC)ccc21
InChIInChI=1S/C15H20N2O4/c1-3-8-17-12-6-4-10(9-13(12)21-15(17)19)11(16)5-7-14(18)20-2/h4,6,9,11H,3,5,7-8,16H2,1-2H3
InChIKeyGQGIYUYBIVSNKI-UHFFFAOYSA-N
XLogP1.96
TPSA87.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate with MolForge

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Related Compounds

6-[(1S)-1-aminopropyl]-3-propyl-1,3-benzoxazol-2-one
CID 82758221
6-(1-aminoethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300066
6-(4-amino-1-hydroxybutyl)-3-propyl-1,3-benzoxazol-2-one
CID 82341307
6-(1-chloroethyl)-3-propyl-1,3-benzoxazol-2-one
CID 62300248
2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
CID 62299705
6-(1-hydroxy-3,3-dimethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 62298658
6-(1-chloro-2-ethylbutyl)-3-propyl-1,3-benzoxazol-2-one
CID 63444227
6-(1-aminononyl)-3-methyl-1,3-benzoxazol-2-one
CID 65447465
methyl 8-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)octanoate
CID 12961165
6-[3,3-dimethyl-1-(methylamino)butyl]-3-propyl-1,3-benzoxazol-2-one
CID 62299894
6-[2-methyl-1-(propylamino)propyl]-3-propyl-1,3-benzoxazol-2-one
CID 62300946
6-[hydroxy-(2-methylfuran-3-yl)methyl]-3-propyl-1,3-benzoxazol-2-one
CID 62300581

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate?
The IUPAC name of methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate (CID 62298655) is methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate.
What is the SMILES notation for methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate?
The canonical SMILES for methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate is CCCn1c(=O)oc2cc(C(N)CCC(=O)OC)ccc21.
What is the InChIKey of methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate?
The InChIKey is GQGIYUYBIVSNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-8-17-12-6-4-10(9-13(12)21-15(17)19)11(16)5-7-14(18)20-2/h4,6,9,11H,3,5,7-8,16H2,1-2H3.
What are the key properties of methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate?
methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate has a molecular weight of 292.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-4-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)butanoate is sourced from PubChem (CID 62298655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).