2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide

C26H28FN5O3 — CID 169077632

IUPAC2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cnc(C(C)(C)C)o2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C26H28FN5O3/c1-16-11-19(27)20(30-24(33)22-14-29-25(35-22)26(2,3)4)13-18(16)17-12-21(31-7-9-34-10-8-31)23-28-5-6-32(23)15-17/h5-6,11-15H,7-10H2,1-4H3,(H,30,33)
InChIKeyWNGPOWAVZIPQAT-UHFFFAOYSA-N
MW477.54 g/mol
LogP4.82
Rot. Bonds4

About 2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide

2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 169077632) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide
PubChem CID169077632
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cnc(C(C)(C)C)o2)cc1-c1cc(N2CCOCC2)c2nccn2c1
InChIInChI=1S/C26H28FN5O3/c1-16-11-19(27)20(30-24(33)22-14-29-25(35-22)26(2,3)4)13-18(16)17-12-21(31-7-9-34-10-8-31)23-28-5-6-32(23)15-17/h5-6,11-15H,7-10H2,1-4H3,(H,30,33)
InChIKeyWNGPOWAVZIPQAT-UHFFFAOYSA-N
XLogP4.82
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide (CID 169077632) is 2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide is Cc1cc(F)c(NC(=O)c2cnc(C(C)(C)C)o2)cc1-c1cc(N2CCOCC2)c2nccn2c1.
What is the InChIKey of 2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is WNGPOWAVZIPQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-16-11-19(27)20(30-24(33)22-14-29-25(35-22)26(2,3)4)13-18(16)17-12-21(31-7-9-34-10-8-31)23-28-5-6-32(23)15-17/h5-6,11-15H,7-10H2,1-4H3,(H,30,33).
What are the key properties of 2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide?
2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 169077632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).