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

C13H10ClN3O2 — CID 53375003

IUPACN-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESCOc1ccc(Nc2noc3cccnc23)cc1Cl
InChIInChI=1S/C13H10ClN3O2/c1-18-10-5-4-8(7-9(10)14)16-13-12-11(19-17-13)3-2-6-15-12/h2-7H,1H3,(H,16,17)
InChIKeyPDORRJMOZFMHOC-UHFFFAOYSA-N
MW275.70 g/mol
LogP3.63
Rot. Bonds3

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

N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 53375003) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID53375003
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC NameN-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESCOc1ccc(Nc2noc3cccnc23)cc1Cl
InChIInChI=1S/C13H10ClN3O2/c1-18-10-5-4-8(7-9(10)14)16-13-12-11(19-17-13)3-2-6-15-12/h2-7H,1H3,(H,16,17)
InChIKeyPDORRJMOZFMHOC-UHFFFAOYSA-N
XLogP3.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 53.63
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-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 53375003) is N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is COc1ccc(Nc2noc3cccnc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is PDORRJMOZFMHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c1-18-10-5-4-8(7-9(10)14)16-13-12-11(19-17-13)3-2-6-15-12/h2-7H,1H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 275.70 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 53375003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).