[5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium

C19H28N5O4+ — CID 134347954

IUPAC[5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium
SMILESC[N+](C)(C)c1ccc(C(=O)NC(CCCCN)C(=O)COc2ccon2)cn1
InChIInChI=1S/C19H27N5O4/c1-24(2,3)17-8-7-14(12-21-17)19(26)22-15(6-4-5-10-20)16(25)13-27-18-9-11-28-23-18/h7-9,11-12,15H,4-6,10,13,20H2,1-3H3/p+1
InChIKeyUHJMDNDBEXMOJQ-UHFFFAOYSA-O
MW390.46 g/mol
LogP1.14
Rot. Bonds11

About [5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium

[5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium (PubChem CID 134347954) has the molecular formula C19H28N5O4+ and a molecular weight of 390.46 g/mol. Its IUPAC name is [5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium.

Molecular Properties

Compound Name[5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium
PubChem CID134347954
Molecular FormulaC19H28N5O4+
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Name[5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium
SMILESC[N+](C)(C)c1ccc(C(=O)NC(CCCCN)C(=O)COc2ccon2)cn1
InChIInChI=1S/C19H27N5O4/c1-24(2,3)17-8-7-14(12-21-17)19(26)22-15(6-4-5-10-20)16(25)13-27-18-9-11-28-23-18/h7-9,11-12,15H,4-6,10,13,20H2,1-3H3/p+1
InChIKeyUHJMDNDBEXMOJQ-UHFFFAOYSA-O
XLogP1.14
TPSA120.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium?
The IUPAC name of [5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium (CID 134347954) is [5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium.
What is the SMILES notation for [5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium?
The canonical SMILES for [5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium is C[N+](C)(C)c1ccc(C(=O)NC(CCCCN)C(=O)COc2ccon2)cn1.
What is the InChIKey of [5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium?
The InChIKey is UHJMDNDBEXMOJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27N5O4/c1-24(2,3)17-8-7-14(12-21-17)19(26)22-15(6-4-5-10-20)16(25)13-27-18-9-11-28-23-18/h7-9,11-12,15H,4-6,10,13,20H2,1-3H3/p+1.
What are the key properties of [5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium?
[5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium has a molecular weight of 390.46 g/mol, XLogP of 1.14, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]-trimethylazanium is sourced from PubChem (CID 134347954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).