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

C18H22F3N7O4 — CID 175812325

IUPAC2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1nnnc1NC(=O)c1ccc(C(F)(F)F)nc1COCC1CN(C(C)(C)C)C(=O)O1
InChIInChI=1S/C18H22F3N7O4/c1-17(2,3)28-7-10(32-16(28)30)8-31-9-12-11(5-6-13(22-12)18(19,20)21)14(29)23-15-24-25-26-27(15)4/h5-6,10H,7-9H2,1-4H3,(H,23,24,26,29)
InChIKeyDYEKLWZULLQVTF-UHFFFAOYSA-N
MW457.41 g/mol
LogP2.01
Rot. Bonds6

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

2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 175812325) has the molecular formula C18H22F3N7O4 and a molecular weight of 457.41 g/mol. Its IUPAC name is 2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID175812325
Molecular FormulaC18H22F3N7O4
Molecular Weight457.41 g/mol
Exact Mass457.17
IUPAC Name2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1nnnc1NC(=O)c1ccc(C(F)(F)F)nc1COCC1CN(C(C)(C)C)C(=O)O1
InChIInChI=1S/C18H22F3N7O4/c1-17(2,3)28-7-10(32-16(28)30)8-31-9-12-11(5-6-13(22-12)18(19,20)21)14(29)23-15-24-25-26-27(15)4/h5-6,10H,7-9H2,1-4H3,(H,23,24,26,29)
InChIKeyDYEKLWZULLQVTF-UHFFFAOYSA-N
XLogP2.01
TPSA124.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 175812325) is 2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is Cn1nnnc1NC(=O)c1ccc(C(F)(F)F)nc1COCC1CN(C(C)(C)C)C(=O)O1.
What is the InChIKey of 2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DYEKLWZULLQVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N7O4/c1-17(2,3)28-7-10(32-16(28)30)8-31-9-12-11(5-6-13(22-12)18(19,20)21)14(29)23-15-24-25-26-27(15)4/h5-6,10H,7-9H2,1-4H3,(H,23,24,26,29).
What are the key properties of 2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 457.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 175812325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).