(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine

C8H9N3O — CID 165403169

IUPAC(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine
SMILESCc1noc2cnc(CN)cc12
InChIInChI=1S/C8H9N3O/c1-5-7-2-6(3-9)10-4-8(7)12-11-5/h2,4H,3,9H2,1H3
InChIKeyQEZBXUVTBDXHJZ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.99
Rot. Bonds1

About (3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine

(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine (PubChem CID 165403169) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is (3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine
PubChem CID165403169
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine
SMILESCc1noc2cnc(CN)cc12
InChIInChI=1S/C8H9N3O/c1-5-7-2-6(3-9)10-4-8(7)12-11-5/h2,4H,3,9H2,1H3
InChIKeyQEZBXUVTBDXHJZ-UHFFFAOYSA-N
XLogP0.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine
CID 175594161
N-tert-butylsulfanyl-1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine
CID 171517621
3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine
CID 58047399
(6-amino-3-methyl-1,2-benzoxazol-5-yl)-dideuteriomethanol
CID 118553098
3,5-dimethyl-1,2-benzoxazole
CID 4283186
5-ethyl-3-methyl-1,2-benzoxazole
CID 70293590
(3-methyl-1,2-benzoxazol-5-yl)methanol
CID 84651532
(NE,R)-2-methyl-N-[(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methylidene]propane-2-sulfinamide
CID 165403076
(6-amino-3-methyl-1,2-benzoxazol-5-yl)-deuteriomethanone
CID 118553128
[3-(3-methyl-1,2-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117332233
4-(3-methyl-1,2-benzoxazol-6-yl)butan-1-amine
CID 117292848
6-ethoxy-3-methyl-1,2-benzoxazole
CID 119094129

Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine?
The IUPAC name of (3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine (CID 165403169) is (3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine.
What is the SMILES notation for (3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine?
The canonical SMILES for (3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine is Cc1noc2cnc(CN)cc12.
What is the InChIKey of (3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine?
The InChIKey is QEZBXUVTBDXHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-7-2-6(3-9)10-4-8(7)12-11-5/h2,4H,3,9H2,1H3.
What are the key properties of (3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine?
(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine has a molecular weight of 163.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine is sourced from PubChem (CID 165403169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).