5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide

C23H17N7O3 — CID 122315927

IUPAC5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C23H17N7O3/c31-23(17-12-19(33-30-17)18-4-3-11-32-18)28-16-8-6-15(7-9-16)27-21-13-22(26-14-25-21)29-20-5-1-2-10-24-20/h1-14H,(H,28,31)(H2,24,25,26,27,29)
InChIKeyAHYUCWKLASXEAA-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.86
Rot. Bonds7

About 5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 122315927) has the molecular formula C23H17N7O3 and a molecular weight of 439.44 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID122315927
Molecular FormulaC23H17N7O3
Molecular Weight439.44 g/mol
Exact Mass439.14
IUPAC Name5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1)c1cc(-c2ccco2)on1
InChIInChI=1S/C23H17N7O3/c31-23(17-12-19(33-30-17)18-4-3-11-32-18)28-16-8-6-15(7-9-16)27-21-13-22(26-14-25-21)29-20-5-1-2-10-24-20/h1-14H,(H,28,31)(H2,24,25,26,27,29)
InChIKeyAHYUCWKLASXEAA-UHFFFAOYSA-N
XLogP4.86
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-chloro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315780
N-(3,4-dimethylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 3244522
2,4-difluoro-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122315819
1-(4-tert-butylphenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122316135
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 122315829
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
CID 122316024
5-(furan-2-yl)-N-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 24739268
2-(4-chlorophenyl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315807
5-(furan-2-yl)-N-[4-(sulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 24669152
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
5-(furan-2-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1,2-oxazole-3-carboxamide
CID 90544944
5-(furan-2-yl)-N-(3-iodophenyl)-1,2-oxazole-3-carboxamide
CID 24663749

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide (CID 122315927) is 5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is AHYUCWKLASXEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O3/c31-23(17-12-19(33-30-17)18-4-3-11-32-18)28-16-8-6-15(7-9-16)27-21-13-22(26-14-25-21)29-20-5-1-2-10-24-20/h1-14H,(H,28,31)(H2,24,25,26,27,29).
What are the key properties of 5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 4.86, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122315927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).