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

C19H14ClN3O2 — CID 89459644

IUPACN-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESCc1cccc(Oc2ccc(Nc3noc4cccnc34)cc2Cl)c1
InChIInChI=1S/C19H14ClN3O2/c1-12-4-2-5-14(10-12)24-16-8-7-13(11-15(16)20)22-19-18-17(25-23-19)6-3-9-21-18/h2-11H,1H3,(H,22,23)
InChIKeyBOHXGTBGOVYFBB-UHFFFAOYSA-N
MW351.79 g/mol
LogP5.72
Rot. Bonds4

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

N-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 89459644) has the molecular formula C19H14ClN3O2 and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID89459644
Molecular FormulaC19H14ClN3O2
Molecular Weight351.79 g/mol
Exact Mass351.08
IUPAC NameN-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESCc1cccc(Oc2ccc(Nc3noc4cccnc34)cc2Cl)c1
InChIInChI=1S/C19H14ClN3O2/c1-12-4-2-5-14(10-12)24-16-8-7-13(11-15(16)20)22-19-18-17(25-23-19)6-3-9-21-18/h2-11H,1H3,(H,22,23)
InChIKeyBOHXGTBGOVYFBB-UHFFFAOYSA-N
XLogP5.72
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.79
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 89459644) is N-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is Cc1cccc(Oc2ccc(Nc3noc4cccnc34)cc2Cl)c1.
What is the InChIKey of N-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is BOHXGTBGOVYFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2/c1-12-4-2-5-14(10-12)24-16-8-7-13(11-15(16)20)22-19-18-17(25-23-19)6-3-9-21-18/h2-11H,1H3,(H,22,23).
What are the key properties of N-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 351.79 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-methylphenoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 89459644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).