2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine

C14H13N3O3 — CID 82337490

IUPAC2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine
SMILESCOc1cccc(OCc2nc3ncc(N)cc3o2)c1
InChIInChI=1S/C14H13N3O3/c1-18-10-3-2-4-11(6-10)19-8-13-17-14-12(20-13)5-9(15)7-16-14/h2-7H,8,15H2,1H3
InChIKeyMLLZFSLLROQFPO-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.39
Rot. Bonds4

About 2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine

2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine (PubChem CID 82337490) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine
PubChem CID82337490
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine
SMILESCOc1cccc(OCc2nc3ncc(N)cc3o2)c1
InChIInChI=1S/C14H13N3O3/c1-18-10-3-2-4-11(6-10)19-8-13-17-14-12(20-13)5-9(15)7-16-14/h2-7H,8,15H2,1H3
InChIKeyMLLZFSLLROQFPO-UHFFFAOYSA-N
XLogP2.39
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methoxyphenoxy)methyl]-1,3-oxazole
CID 117186726
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
CID 117185258
[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 95461249
2-(3,4-dimethoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-6-amine
CID 82337469
4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
2-chloro-5-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 79764226
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
2-[(3-chlorophenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998838
2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655896
2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655825
6-(3-methoxyphenoxy)pyridin-3-amine
CID 806744
1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
CID 117193067

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine (CID 82337490) is 2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine is COc1cccc(OCc2nc3ncc(N)cc3o2)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine?
The InChIKey is MLLZFSLLROQFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-18-10-3-2-4-11(6-10)19-8-13-17-14-12(20-13)5-9(15)7-16-14/h2-7H,8,15H2,1H3.
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine?
2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine has a molecular weight of 271.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-[1,3]oxazolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 82337490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).