N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine

C18H14N4O3 — CID 10125842

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine
SMILESCOc1cc(Nc2ncc(-c3ccccn3)o2)ccc1-c1cnco1
InChIInChI=1S/C18H14N4O3/c1-23-15-8-12(5-6-13(15)16-9-19-11-24-16)22-18-21-10-17(25-18)14-4-2-3-7-20-14/h2-11H,1H3,(H,21,22)
InChIKeyWLYYYJVUIUBDAU-UHFFFAOYSA-N
MW334.34 g/mol
LogP4.14
Rot. Bonds5

About N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine (PubChem CID 10125842) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine
PubChem CID10125842
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine
SMILESCOc1cc(Nc2ncc(-c3ccccn3)o2)ccc1-c1cnco1
InChIInChI=1S/C18H14N4O3/c1-23-15-8-12(5-6-13(15)16-9-19-11-24-16)22-18-21-10-17(25-18)14-4-2-3-7-20-14/h2-11H,1H3,(H,21,22)
InChIKeyWLYYYJVUIUBDAU-UHFFFAOYSA-N
XLogP4.14
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine (CID 10125842) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine is COc1cc(Nc2ncc(-c3ccccn3)o2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine?
The InChIKey is WLYYYJVUIUBDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-23-15-8-12(5-6-13(15)16-9-19-11-24-16)22-18-21-10-17(25-18)14-4-2-3-7-20-14/h2-11H,1H3,(H,21,22).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine has a molecular weight of 334.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-pyridin-2-yl-1,3-oxazol-2-amine is sourced from PubChem (CID 10125842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).