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

C9H11N3O — CID 175594161

IUPAC1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine
SMILESCc1noc2cnc(C(C)N)cc12
InChIInChI=1S/C9H11N3O/c1-5(10)8-3-7-6(2)12-13-9(7)4-11-8/h3-5H,10H2,1-2H3
InChIKeyWWFWKGMEADQEEN-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.55
Rot. Bonds1

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

1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine (PubChem CID 175594161) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine
PubChem CID175594161
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine
SMILESCc1noc2cnc(C(C)N)cc12
InChIInChI=1S/C9H11N3O/c1-5(10)8-3-7-6(2)12-13-9(7)4-11-8/h3-5H,10H2,1-2H3
InChIKeyWWFWKGMEADQEEN-UHFFFAOYSA-N
XLogP1.55
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine
CID 165403169
1-(5-chloro-4-methyl-2-pyridinyl)ethanamine
CID 130116187
3,5-dimethyl-1,2-benzoxazole
CID 4283186
3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine
CID 58047399
2-(3-methyl-1,2-benzoxazol-5-yl)-2-oxoacetic acid
CID 117293081
N-tert-butylsulfanyl-1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine
CID 171517621
5-ethyl-3-methyl-1,2-benzoxazole
CID 70293590
(1R)-1-(5-ethenyl-4-methyl-2-pyridinyl)ethanamine
CID 74787962
(3-methyl-1,2-benzoxazol-5-yl)methanol
CID 84651532
(1S)-1-(5-ethenyl-4-methyl-2-pyridinyl)ethanamine
CID 74788040
(3-methyl-1,2-benzoxazol-5-yl)boronic acid
CID 90733121
(NE,R)-2-methyl-N-[(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methylidene]propane-2-sulfinamide
CID 165403076

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine?
The IUPAC name of 1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine (CID 175594161) is 1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine.
What is the SMILES notation for 1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine?
The canonical SMILES for 1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine is Cc1noc2cnc(C(C)N)cc12.
What is the InChIKey of 1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine?
The InChIKey is WWFWKGMEADQEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5(10)8-3-7-6(2)12-13-9(7)4-11-8/h3-5H,10H2,1-2H3.
What are the key properties of 1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine?
1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine has a molecular weight of 177.21 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)ethanamine is sourced from PubChem (CID 175594161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).