5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile

C20H19N5O3 — CID 71295372

IUPAC5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESCc1cc(Nc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)n2)no1
InChIInChI=1S/C20H19N5O3/c1-13-10-19(25-28-13)24-20-22-7-4-17(23-20)14-2-3-18(15(11-14)12-21)27-16-5-8-26-9-6-16/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H,22,23,24,25)
InChIKeyIZDUBCLXNXGBOL-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.61
Rot. Bonds5

About 5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile

5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 71295372) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID71295372
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESCc1cc(Nc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)n2)no1
InChIInChI=1S/C20H19N5O3/c1-13-10-19(25-28-13)24-20-22-7-4-17(23-20)14-2-3-18(15(11-14)12-21)27-16-5-8-26-9-6-16/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H,22,23,24,25)
InChIKeyIZDUBCLXNXGBOL-UHFFFAOYSA-N
XLogP3.61
TPSA106.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile (CID 71295372) is 5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile is Cc1cc(Nc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)n2)no1.
What is the InChIKey of 5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is IZDUBCLXNXGBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-13-10-19(25-28-13)24-20-22-7-4-17(23-20)14-2-3-18(15(11-14)12-21)27-16-5-8-26-9-6-16/h2-4,7,10-11,16H,5-6,8-9H2,1H3,(H,22,23,24,25).
What are the key properties of 5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 377.40 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 71295372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).