2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide

C21H17FN6O3 — CID 175682547

IUPAC2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccnc(N)c2)o1
InChIInChI=1S/C21H17FN6O3/c1-10-2-3-11(18-27-21(31-28-18)13-8-14(13)22)6-15(10)26-19(29)16-9-25-20(30-16)12-4-5-24-17(23)7-12/h2-7,9,13-14H,8H2,1H3,(H2,23,24)(H,26,29)/t13-,14-/m0/s1
InChIKeyZTFXWNBYUKMTDW-KBPBESRZSA-N
MW420.40 g/mol
LogP3.75
Rot. Bonds5

About 2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide

2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide (PubChem CID 175682547) has the molecular formula C21H17FN6O3 and a molecular weight of 420.40 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
PubChem CID175682547
Molecular FormulaC21H17FN6O3
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccnc(N)c2)o1
InChIInChI=1S/C21H17FN6O3/c1-10-2-3-11(18-27-21(31-28-18)13-8-14(13)22)6-15(10)26-19(29)16-9-25-20(30-16)12-4-5-24-17(23)7-12/h2-7,9,13-14H,8H2,1H3,(H2,23,24)(H,26,29)/t13-,14-/m0/s1
InChIKeyZTFXWNBYUKMTDW-KBPBESRZSA-N
XLogP3.75
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide (CID 175682547) is 2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccnc(N)c2)o1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is ZTFXWNBYUKMTDW-KBPBESRZSA-N. The full InChI is InChI=1S/C21H17FN6O3/c1-10-2-3-11(18-27-21(31-28-18)13-8-14(13)22)6-15(10)26-19(29)16-9-25-20(30-16)12-4-5-24-17(23)7-12/h2-7,9,13-14H,8H2,1H3,(H2,23,24)(H,26,29)/t13-,14-/m0/s1.
What are the key properties of 2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide?
2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 175682547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).