2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline

C15H15N3O — CID 107273867

IUPAC2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline
SMILESCc1ccc2oc(CCc3ccccc3N)nc2n1
InChIInChI=1S/C15H15N3O/c1-10-6-8-13-15(17-10)18-14(19-13)9-7-11-4-2-3-5-12(11)16/h2-6,8H,7,9,16H2,1H3
InChIKeyGYCRRJNUISSVED-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.90
Rot. Bonds3

About 2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline

2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline (PubChem CID 107273867) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline
PubChem CID107273867
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline
SMILESCc1ccc2oc(CCc3ccccc3N)nc2n1
InChIInChI=1S/C15H15N3O/c1-10-6-8-13-15(17-10)18-14(19-13)9-7-11-4-2-3-5-12(11)16/h2-6,8H,7,9,16H2,1H3
InChIKeyGYCRRJNUISSVED-UHFFFAOYSA-N
XLogP2.90
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(6-fluoro-1,3-benzoxazol-2-yl)ethyl]aniline
CID 107273857
2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82472251
2-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
CID 82471035
4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline
CID 104503235
2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 107273781
2-[2-(5,7-dichloro-1,3-benzoxazol-2-yl)ethyl]aniline
CID 107676050
2-[2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273817
2-[2-(4-methyl-1,3-benzothiazol-2-yl)ethyl]aniline
CID 107273677
2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]aniline
CID 82469557
2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62497444
2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]aniline
CID 62497445
2-[2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 82483093

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline?
The IUPAC name of 2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline (CID 107273867) is 2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline?
The canonical SMILES for 2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline is Cc1ccc2oc(CCc3ccccc3N)nc2n1.
What is the InChIKey of 2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline?
The InChIKey is GYCRRJNUISSVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-6-8-13-15(17-10)18-14(19-13)9-7-11-4-2-3-5-12(11)16/h2-6,8H,7,9,16H2,1H3.
What are the key properties of 2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline?
2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline has a molecular weight of 253.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline is sourced from PubChem (CID 107273867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).