N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide

C19H13F6N3O3 — CID 10297307

IUPACN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide
SMILESCc1onc(NC(=O)c2ccncc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H13F6N3O3/c1-10-14(15(28-31-10)27-16(29)12-6-8-26-9-7-12)11-2-4-13(5-3-11)17(30,18(20,21)22)19(23,24)25/h2-9,30H,1H3,(H,27,28,29)
InChIKeyVIRUCZBSURSOOJ-UHFFFAOYSA-N
MW445.32 g/mol
LogP4.61
Rot. Bonds4

About N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide

N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide (PubChem CID 10297307) has the molecular formula C19H13F6N3O3 and a molecular weight of 445.32 g/mol. Its IUPAC name is N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide
PubChem CID10297307
Molecular FormulaC19H13F6N3O3
Molecular Weight445.32 g/mol
Exact Mass445.09
IUPAC NameN-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide
SMILESCc1onc(NC(=O)c2ccncc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C19H13F6N3O3/c1-10-14(15(28-31-10)27-16(29)12-6-8-26-9-7-12)11-2-4-13(5-3-11)17(30,18(20,21)22)19(23,24)25/h2-9,30H,1H3,(H,27,28,29)
InChIKeyVIRUCZBSURSOOJ-UHFFFAOYSA-N
XLogP4.61
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide (CID 10297307) is N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide is Cc1onc(NC(=O)c2ccncc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide?
The InChIKey is VIRUCZBSURSOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O3/c1-10-14(15(28-31-10)27-16(29)12-6-8-26-9-7-12)11-2-4-13(5-3-11)17(30,18(20,21)22)19(23,24)25/h2-9,30H,1H3,(H,27,28,29).
What are the key properties of N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide?
N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide has a molecular weight of 445.32 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-5-methyl-1,2-oxazol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 10297307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).