4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine

C24H19N5O2 — CID 11395732

IUPAC4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine
SMILESCc1ccc(Nc2ncc(-c3ccccc3)o2)cc1Nc1ncc(-c2ccncc2)o1
InChIInChI=1S/C24H19N5O2/c1-16-7-8-19(28-23-26-14-21(30-23)17-5-3-2-4-6-17)13-20(16)29-24-27-15-22(31-24)18-9-11-25-12-10-18/h2-15H,1H3,(H,26,28)(H,27,29)
InChIKeyLLRWNDWHVNPUMJ-UHFFFAOYSA-N
MW409.45 g/mol
LogP6.19
Rot. Bonds6

About 4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine

4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine (PubChem CID 11395732) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine
PubChem CID11395732
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine
SMILESCc1ccc(Nc2ncc(-c3ccccc3)o2)cc1Nc1ncc(-c2ccncc2)o1
InChIInChI=1S/C24H19N5O2/c1-16-7-8-19(28-23-26-14-21(30-23)17-5-3-2-4-6-17)13-20(16)29-24-27-15-22(31-24)18-9-11-25-12-10-18/h2-15H,1H3,(H,26,28)(H,27,29)
InChIKeyLLRWNDWHVNPUMJ-UHFFFAOYSA-N
XLogP6.19
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine (CID 11395732) is 4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine is Cc1ccc(Nc2ncc(-c3ccccc3)o2)cc1Nc1ncc(-c2ccncc2)o1.
What is the InChIKey of 4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine?
The InChIKey is LLRWNDWHVNPUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-16-7-8-19(28-23-26-14-21(30-23)17-5-3-2-4-6-17)13-20(16)29-24-27-15-22(31-24)18-9-11-25-12-10-18/h2-15H,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine?
4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine has a molecular weight of 409.45 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 11395732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).