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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Related Compounds

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
2-[(3-tert-butyl-2-oxo-1,3-oxazolidin-5-yl)methoxymethyl]-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 175812325
N-(1-methyltetrazol-5-yl)-2-[(1-methyl-1,2,4-triazol-3-yl)methoxymethyl]-6-(1,1,2,2,2-pentafluoroethyl)pyridine-3-carboxamide
CID 156756520
2-(4-methylpyrazol-1-yl)-N-(1-methyltetrazol-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134353877
3-fluoro-2-methylsulfanyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 151659263
3-methoxysulfanyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 118639448
3-ethylsulfonyl-2-methyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 166505089
N-methoxy-2-(methoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 89007598
3-[(4-methoxyphenyl)methoxy]-2-methylsulfinyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 155191375
2-chloro-3-ethylsulfonyl-N-(1-methyltetrazol-5-yl)-4-(2,2,2-trifluoroethyl)benzamide
CID 166505084
4-methyl-N-(1-methyltetrazol-5-yl)thiophene-3-carboxamide
CID 167770872
2-hydroxy-N-(1-methyltetrazol-5-yl)benzamide
CID 15029704

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).