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

C16H17N3O — CID 104503235

IUPAC4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline
SMILESCc1ccc2oc(CC(C)c3ccc(N)cc3)nc2n1
InChIInChI=1S/C16H17N3O/c1-10(12-4-6-13(17)7-5-12)9-15-19-16-14(20-15)8-3-11(2)18-16/h3-8,10H,9,17H2,1-2H3
InChIKeyDFGQPHOWFALPFC-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.46
Rot. Bonds3

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

4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline (PubChem CID 104503235) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline
PubChem CID104503235
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline
SMILESCc1ccc2oc(CC(C)c3ccc(N)cc3)nc2n1
InChIInChI=1S/C16H17N3O/c1-10(12-4-6-13(17)7-5-12)9-15-19-16-14(20-15)8-3-11(2)18-16/h3-8,10H,9,17H2,1-2H3
InChIKeyDFGQPHOWFALPFC-UHFFFAOYSA-N
XLogP3.46
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.46
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

4-[1-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)propan-2-yl]aniline
CID 104503233
2-[2-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 107273867
4-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503214
4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503164
4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
CID 113392437
2-[(2R)-2-phenylpropyl]-1,3-benzoxazole
CID 134964619
4-[1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104788807
4-[1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503178
2-(2-methylbutyl)-1,3-benzoxazol-6-amine
CID 112694836
4-[1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 116704439
4-[1-(4-methyl-1,3-benzothiazol-2-yl)propan-2-yl]aniline
CID 104503124
4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline
CID 104503160

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline?
The IUPAC name of 4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline (CID 104503235) is 4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline.
What is the SMILES notation for 4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline?
The canonical SMILES for 4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline is Cc1ccc2oc(CC(C)c3ccc(N)cc3)nc2n1.
What is the InChIKey of 4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline?
The InChIKey is DFGQPHOWFALPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10(12-4-6-13(17)7-5-12)9-15-19-16-14(20-15)8-3-11(2)18-16/h3-8,10H,9,17H2,1-2H3.
What are the key properties of 4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline?
4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline has a molecular weight of 267.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline is sourced from PubChem (CID 104503235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).