5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid

C26H27N3O6 — CID 165448828

IUPAC5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ocnc1C(=O)O
InChIInChI=1S/C26H27N3O6/c30-23(28-14-22-24(25(31)32)29-16-35-22)12-2-1-7-13-27-26(33)34-15-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,16,21H,1-2,7,12-15H2,(H,27,33)(H,28,30)(H,31,32)
InChIKeySKQAOXBXEVUJFM-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.09
Rot. Bonds11

About 5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid

5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 165448828) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is 5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID165448828
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Name5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ocnc1C(=O)O
InChIInChI=1S/C26H27N3O6/c30-23(28-14-22-24(25(31)32)29-16-35-22)12-2-1-7-13-27-26(33)34-15-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,16,21H,1-2,7,12-15H2,(H,27,33)(H,28,30)(H,31,32)
InChIKeySKQAOXBXEVUJFM-UHFFFAOYSA-N
XLogP4.09
TPSA130.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295
cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178198555
3-[1-[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]azetidin-3-yl]propanoic acid
CID 165447278
(3R)-3-[7-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoylamino]butanoic acid
CID 165498296
ethyl 2-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]acetate
CID 141178701
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
O-trimethylsilyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanethioate
CID 57330497
6-[3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoylamino]hexanoic acid
CID 154704999
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
9H-fluoren-9-ylmethyl N-[11-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecyldisulfanyl]undecyl]carbamate
CID 139936018
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid (CID 165448828) is 5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid is O=C(CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1ocnc1C(=O)O.
What is the InChIKey of 5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is SKQAOXBXEVUJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6/c30-23(28-14-22-24(25(31)32)29-16-35-22)12-2-1-7-13-27-26(33)34-15-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,16,21H,1-2,7,12-15H2,(H,27,33)(H,28,30)(H,31,32).
What are the key properties of 5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid?
5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 477.52 g/mol, XLogP of 4.09, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 165448828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).