N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C17H20F3N7O4 — CID 175812372

IUPACN-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCN1CC(COCc2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)OC1=O
InChIInChI=1S/C17H20F3N7O4/c1-3-6-27-7-10(31-16(27)29)8-30-9-12-11(4-5-13(21-12)17(18,19)20)14(28)22-15-23-24-25-26(15)2/h4-5,10H,3,6-9H2,1-2H3,(H,22,23,25,28)
InChIKeyHARBBQYRJJIYPO-UHFFFAOYSA-N
MW443.39 g/mol
LogP1.62
Rot. Bonds8

About N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 175812372) has the molecular formula C17H20F3N7O4 and a molecular weight of 443.39 g/mol. Its IUPAC name is N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID175812372
Molecular FormulaC17H20F3N7O4
Molecular Weight443.39 g/mol
Exact Mass443.15
IUPAC NameN-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCN1CC(COCc2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)OC1=O
InChIInChI=1S/C17H20F3N7O4/c1-3-6-27-7-10(31-16(27)29)8-30-9-12-11(4-5-13(21-12)17(18,19)20)14(28)22-15-23-24-25-26(15)2/h4-5,10H,3,6-9H2,1-2H3,(H,22,23,25,28)
InChIKeyHARBBQYRJJIYPO-UHFFFAOYSA-N
XLogP1.62
TPSA124.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 175812372) is N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is CCCN1CC(COCc2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)OC1=O.
What is the InChIKey of N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HARBBQYRJJIYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N7O4/c1-3-6-27-7-10(31-16(27)29)8-30-9-12-11(4-5-13(21-12)17(18,19)20)14(28)22-15-23-24-25-26(15)2/h4-5,10H,3,6-9H2,1-2H3,(H,22,23,25,28).
What are the key properties of N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 443.39 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyltetrazol-5-yl)-2-[(2-oxo-3-propyl-1,3-oxazolidin-5-yl)methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175812372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).