2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine

C9H11N3O — CID 82410494

IUPAC2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine
SMILESCc1onc2c(CCN)nccc12
InChIInChI=1S/C9H11N3O/c1-6-7-3-5-11-8(2-4-10)9(7)12-13-6/h3,5H,2,4,10H2,1H3
InChIKeyIPULXHNMVGRVJP-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.03
Rot. Bonds2

About 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine

2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine (PubChem CID 82410494) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine
PubChem CID82410494
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine
SMILESCc1onc2c(CCN)nccc12
InChIInChI=1S/C9H11N3O/c1-6-7-3-5-11-8(2-4-10)9(7)12-13-6/h3,5H,2,4,10H2,1H3
InChIKeyIPULXHNMVGRVJP-UHFFFAOYSA-N
XLogP1.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)acetic acid
CID 82403023
ethane;(3-methyl-2,1-benzoxazol-7-yl)methanamine
CID 176569868
1-(2-aminoethyl)isoquinolin-5-ol
CID 84661446
2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine
CID 82597080
(5,8-dimethylisoquinolin-1-yl)methanamine
CID 82405735
acetonitrile;2-[2,3-bis(2-aminoethyl)-4-pyridinyl]ethanamine;hydrate
CID 158581609
3-(5-fluoroisoquinolin-1-yl)propan-1-amine
CID 82576520
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115529316
2-(2-isoquinolin-1-yl-4,6-dimethylpyrimidin-5-yl)ethanamine
CID 63950493
2-(3-chloropyrazin-2-yl)ethanamine
CID 134588133
2-[4-(3-methoxy-2-methyl-4-pyridinyl)phenyl]ethanamine;dihydrochloride
CID 163340695
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine
CID 112614814

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine?
The IUPAC name of 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine (CID 82410494) is 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine is Cc1onc2c(CCN)nccc12.
What is the InChIKey of 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine?
The InChIKey is IPULXHNMVGRVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-7-3-5-11-8(2-4-10)9(7)12-13-6/h3,5H,2,4,10H2,1H3.
What are the key properties of 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine?
2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine has a molecular weight of 177.21 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-[1,2]oxazolo[3,4-c]pyridin-7-yl)ethanamine is sourced from PubChem (CID 82410494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).