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

C16H10ClN5O2 — CID 53373899

IUPACN-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESClc1cc(Nc2noc3cccnc23)ccc1Oc1cnccn1
InChIInChI=1S/C16H10ClN5O2/c17-11-8-10(3-4-12(11)23-14-9-18-6-7-19-14)21-16-15-13(24-22-16)2-1-5-20-15/h1-9H,(H,21,22)
InChIKeyIAYIPTNAGWTOCT-UHFFFAOYSA-N
MW339.74 g/mol
LogP4.20
Rot. Bonds4

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

N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 53373899) has the molecular formula C16H10ClN5O2 and a molecular weight of 339.74 g/mol. Its IUPAC name is N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID53373899
Molecular FormulaC16H10ClN5O2
Molecular Weight339.74 g/mol
Exact Mass339.05
IUPAC NameN-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESClc1cc(Nc2noc3cccnc23)ccc1Oc1cnccn1
InChIInChI=1S/C16H10ClN5O2/c17-11-8-10(3-4-12(11)23-14-9-18-6-7-19-14)21-16-15-13(24-22-16)2-1-5-20-15/h1-9H,(H,21,22)
InChIKeyIAYIPTNAGWTOCT-UHFFFAOYSA-N
XLogP4.20
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 53373899) is N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is Clc1cc(Nc2noc3cccnc23)ccc1Oc1cnccn1.
What is the InChIKey of N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is IAYIPTNAGWTOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5O2/c17-11-8-10(3-4-12(11)23-14-9-18-6-7-19-14)21-16-15-13(24-22-16)2-1-5-20-15/h1-9H,(H,21,22).
What are the key properties of N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 339.74 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrazin-2-yloxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 53373899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).