trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium

C19H27N4O4+ — CID 142307493

IUPACtrimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium
SMILESCCCCC(NC(=O)c1ccc([N+](C)(C)C)nc1)C(=O)COc1ccon1
InChIInChI=1S/C19H26N4O4/c1-5-6-7-15(16(24)13-26-18-10-11-27-22-18)21-19(25)14-8-9-17(20-12-14)23(2,3)4/h8-12,15H,5-7,13H2,1-4H3/p+1
InChIKeyFMBVTTIXGKURDO-UHFFFAOYSA-O
MW375.45 g/mol
LogP2.20
Rot. Bonds10

About trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium

trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium (PubChem CID 142307493) has the molecular formula C19H27N4O4+ and a molecular weight of 375.45 g/mol. Its IUPAC name is trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium.

Molecular Properties

Compound Nametrimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium
PubChem CID142307493
Molecular FormulaC19H27N4O4+
Molecular Weight375.45 g/mol
Exact Mass375.20
IUPAC Nametrimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium
SMILESCCCCC(NC(=O)c1ccc([N+](C)(C)C)nc1)C(=O)COc1ccon1
InChIInChI=1S/C19H26N4O4/c1-5-6-7-15(16(24)13-26-18-10-11-27-22-18)21-19(25)14-8-9-17(20-12-14)23(2,3)4/h8-12,15H,5-7,13H2,1-4H3/p+1
InChIKeyFMBVTTIXGKURDO-UHFFFAOYSA-O
XLogP2.20
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1-chloro-2-oxooctan-3-yl]-6-fluoropyridine-3-carboxamide;2,6-difluorophenol;N-[(3S)-1-(2,6-difluorophenoxy)-2-oxooctan-3-yl]-6-fluoropyridine-3-carboxamide;sulfane
CID 159149422
methyl (2S)-2-[(4-aminobenzoyl)amino]hexanoate
CID 59948600
(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
CID 107144444
tert-butyl N-[(5S)-7-chloro-5-[(2-methoxy-2-methylpropanoyl)amino]-6-oxoheptyl]carbamate;tert-butyl N-[(5S)-5-[(2-methoxy-2-methylpropanoyl)amino]-7-(1,2-oxazol-3-yloxy)-6-oxoheptyl]carbamate;methane;1,2-oxazol-3-one
CID 159118626
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
chloro(iodo)methane;N-[(3S)-1-chloro-2-oxooctan-3-yl]pyridine-3-carboxamide;methane;methyl (2S)-2-(pyridine-3-carbonylamino)heptanoate
CID 160752070
N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119668708
diethyl 2-[(6-bromopyridine-3-carbonyl)amino]pentanedioate
CID 123619721
N-[7-amino-1-(2,6-difluoro-3-methylphenoxy)-2-oxoheptan-3-yl]pyridine-3-carboxamide
CID 158713062
6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide
CID 60622282
N-(1-aminohexan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119667500
2-(1,3-benzoxazole-5-carbonylamino)hexanoic acid
CID 108795182

Frequently Asked Questions

What is the IUPAC name of trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium?
The IUPAC name of trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium (CID 142307493) is trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium.
What is the SMILES notation for trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium?
The canonical SMILES for trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium is CCCCC(NC(=O)c1ccc([N+](C)(C)C)nc1)C(=O)COc1ccon1.
What is the InChIKey of trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium?
The InChIKey is FMBVTTIXGKURDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26N4O4/c1-5-6-7-15(16(24)13-26-18-10-11-27-22-18)21-19(25)14-8-9-17(20-12-14)23(2,3)4/h8-12,15H,5-7,13H2,1-4H3/p+1.
What are the key properties of trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium?
trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium has a molecular weight of 375.45 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5-[[1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]carbamoyl]-2-pyridinyl]azanium is sourced from PubChem (CID 142307493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).