N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine

C18H13ClN4O2 — CID 89459642

IUPACN-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESCc1ccc(Oc2ccc(Nc3noc4cccnc34)cc2Cl)nc1
InChIInChI=1S/C18H13ClN4O2/c1-11-4-7-16(21-10-11)24-14-6-5-12(9-13(14)19)22-18-17-15(25-23-18)3-2-8-20-17/h2-10H,1H3,(H,22,23)
InChIKeyJBMLEGKSOUZASJ-UHFFFAOYSA-N
MW352.78 g/mol
LogP5.12
Rot. Bonds4

About N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine

N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 89459642) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID89459642
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC NameN-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESCc1ccc(Oc2ccc(Nc3noc4cccnc34)cc2Cl)nc1
InChIInChI=1S/C18H13ClN4O2/c1-11-4-7-16(21-10-11)24-14-6-5-12(9-13(14)19)22-18-17-15(25-23-18)3-2-8-20-17/h2-10H,1H3,(H,22,23)
InChIKeyJBMLEGKSOUZASJ-UHFFFAOYSA-N
XLogP5.12
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.78
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 89459642) is N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is Cc1ccc(Oc2ccc(Nc3noc4cccnc34)cc2Cl)nc1.
What is the InChIKey of N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is JBMLEGKSOUZASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-11-4-7-16(21-10-11)24-14-6-5-12(9-13(14)19)22-18-17-15(25-23-18)3-2-8-20-17/h2-10H,1H3,(H,22,23).
What are the key properties of N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 352.78 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 89459642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).