N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide

C21H20FN7O2 — CID 58563416

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(C(C)(C)C)on2)cc1-n1cc(-c2cncc(F)c2)nn1
InChIInChI=1S/C21H20FN7O2/c1-12-17(29-11-16(26-28-29)13-5-15(22)10-23-8-13)6-14(9-24-12)20(30)25-19-7-18(31-27-19)21(2,3)4/h5-11H,1-4H3,(H,25,27,30)
InChIKeyAKILREHJUPECID-UHFFFAOYSA-N
MW421.44 g/mol
LogP3.71
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide (PubChem CID 58563416) has the molecular formula C21H20FN7O2 and a molecular weight of 421.44 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide
PubChem CID58563416
Molecular FormulaC21H20FN7O2
Molecular Weight421.44 g/mol
Exact Mass421.17
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(C(C)(C)C)on2)cc1-n1cc(-c2cncc(F)c2)nn1
InChIInChI=1S/C21H20FN7O2/c1-12-17(29-11-16(26-28-29)13-5-15(22)10-23-8-13)6-14(9-24-12)20(30)25-19-7-18(31-27-19)21(2,3)4/h5-11H,1-4H3,(H,25,27,30)
InChIKeyAKILREHJUPECID-UHFFFAOYSA-N
XLogP3.71
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide (CID 58563416) is N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide is Cc1ncc(C(=O)Nc2cc(C(C)(C)C)on2)cc1-n1cc(-c2cncc(F)c2)nn1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is AKILREHJUPECID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O2/c1-12-17(29-11-16(26-28-29)13-5-15(22)10-23-8-13)6-14(9-24-12)20(30)25-19-7-18(31-27-19)21(2,3)4/h5-11H,1-4H3,(H,25,27,30).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 421.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-5-[4-(5-fluoro-3-pyridinyl)triazol-1-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 58563416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).