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

C17H16F3N7O4 — CID 166086540

IUPACN-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC#CCN1C[C@@H](COCc2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)OC1=O
InChIInChI=1S/C17H16F3N7O4/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/h1,4-5,10H,6-9H2,2H3,(H,22,23,25,28)/t10-/m0/s1
InChIKeyKZMNCPQKHSJWFP-JTQLQIEISA-N
MW439.35 g/mol
LogP0.85
Rot. Bonds7

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

N-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 166086540) has the molecular formula C17H16F3N7O4 and a molecular weight of 439.35 g/mol. Its IUPAC name is N-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID166086540
Molecular FormulaC17H16F3N7O4
Molecular Weight439.35 g/mol
Exact Mass439.12
IUPAC NameN-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC#CCN1C[C@@H](COCc2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)OC1=O
InChIInChI=1S/C17H16F3N7O4/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/h1,4-5,10H,6-9H2,2H3,(H,22,23,25,28)/t10-/m0/s1
InChIKeyKZMNCPQKHSJWFP-JTQLQIEISA-N
XLogP0.85
TPSA124.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 166086540) is N-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is C#CCN1C[C@@H](COCc2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)OC1=O.
What is the InChIKey of N-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is KZMNCPQKHSJWFP-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16F3N7O4/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/h1,4-5,10H,6-9H2,2H3,(H,22,23,25,28)/t10-/m0/s1.
What are the key properties of N-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(1-methyltetrazol-5-yl)-2-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 439.35 g/mol, XLogP of 0.85, 7 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-[[(5S)-2-oxo-3-prop-2-ynyl-1,3-oxazolidin-5-yl]methoxymethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 166086540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).