2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile

C15H18N4O — CID 4700371

IUPAC2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESCCC(CC)c1nc(C#N)c(NCc2ccncc2)o1
InChIInChI=1S/C15H18N4O/c1-3-12(4-2)14-19-13(9-16)15(20-14)18-10-11-5-7-17-8-6-11/h5-8,12,18H,3-4,10H2,1-2H3
InChIKeyQUMZFJZWKXXNLG-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.46
Rot. Bonds6

About 2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile

2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile (PubChem CID 4700371) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile
PubChem CID4700371
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile
SMILESCCC(CC)c1nc(C#N)c(NCc2ccncc2)o1
InChIInChI=1S/C15H18N4O/c1-3-12(4-2)14-19-13(9-16)15(20-14)18-10-11-5-7-17-8-6-11/h5-8,12,18H,3-4,10H2,1-2H3
InChIKeyQUMZFJZWKXXNLG-UHFFFAOYSA-N
XLogP3.46
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile (CID 4700371) is 2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile is CCC(CC)c1nc(C#N)c(NCc2ccncc2)o1.
What is the InChIKey of 2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile?
The InChIKey is QUMZFJZWKXXNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-12(4-2)14-19-13(9-16)15(20-14)18-10-11-5-7-17-8-6-11/h5-8,12,18H,3-4,10H2,1-2H3.
What are the key properties of 2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile?
2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-5-(pyridin-4-ylmethylamino)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 4700371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).