4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid

C17H23N3O5 — CID 161403917

IUPAC4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid
SMILESCOCCCOc1ccc2oc(NC3CCN(C(=O)O)CC3)nc2c1
InChIInChI=1S/C17H23N3O5/c1-23-9-2-10-24-13-3-4-15-14(11-13)19-16(25-15)18-12-5-7-20(8-6-12)17(21)22/h3-4,11-12H,2,5-10H2,1H3,(H,18,19)(H,21,22)
InChIKeyVUOYXKJVTHEICM-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.80
Rot. Bonds7

About 4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid

4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 161403917) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID161403917
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid
SMILESCOCCCOc1ccc2oc(NC3CCN(C(=O)O)CC3)nc2c1
InChIInChI=1S/C17H23N3O5/c1-23-9-2-10-24-13-3-4-15-14(11-13)19-16(25-15)18-12-5-7-20(8-6-12)17(21)22/h3-4,11-12H,2,5-10H2,1H3,(H,18,19)(H,21,22)
InChIKeyVUOYXKJVTHEICM-UHFFFAOYSA-N
XLogP2.80
TPSA97.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid
CID 143288804
3-[(5-bromo-1,3-benzoxazol-2-yl)amino]pyrrolidine-1-carboxylic acid
CID 174193660
2-[[2-[[1-[[3,5-di(propan-2-yloxy)phenyl]methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]acetamide
CID 66912229
N-tert-butyl-2-[[2-(piperidin-4-ylamino)-1,3-benzoxazol-5-yl]oxy]acetamide
CID 66912263
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-[3-(1,2,4-triazol-1-yl)propoxy]-1,3-benzoxazol-2-amine
CID 66912262
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
CID 71629873
ethyl 4-[(6-chloro-1,3-benzoxazol-2-yl)amino]piperidine-1-carboxylate
CID 68700029
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid
CID 166692462
3-[[2-[[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]amino]-1,3-benzoxazol-5-yl]oxy]propane-1,2-diol
CID 66912188
4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 139925030
tert-butyl 3-[(5-nitro-1,3-benzoxazol-2-yl)amino]pyrrolidine-1-carboxylate
CID 71629655

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid (CID 161403917) is 4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid is COCCCOc1ccc2oc(NC3CCN(C(=O)O)CC3)nc2c1.
What is the InChIKey of 4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is VUOYXKJVTHEICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-23-9-2-10-24-13-3-4-15-14(11-13)19-16(25-15)18-12-5-7-20(8-6-12)17(21)22/h3-4,11-12H,2,5-10H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid?
4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-methoxypropoxy)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 161403917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).