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

C14H13N3O — CID 113392437

IUPAC4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESCc1ccc2oc(-c3cc(N)ccc3C)nc2n1
InChIInChI=1S/C14H13N3O/c1-8-3-5-10(15)7-11(8)14-17-13-12(18-14)6-4-9(2)16-13/h3-7H,15H2,1-2H3
InChIKeyWSWZITLNJGWBNV-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.09
Rot. Bonds1

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

4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (PubChem CID 113392437) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
PubChem CID113392437
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESCc1ccc2oc(-c3cc(N)ccc3C)nc2n1
InChIInChI=1S/C14H13N3O/c1-8-3-5-10(15)7-11(8)14-17-13-12(18-14)6-4-9(2)16-13/h3-7H,15H2,1-2H3
InChIKeyWSWZITLNJGWBNV-UHFFFAOYSA-N
XLogP3.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.09
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-methylphenyl)-1,3-benzoxazol-6-amine
CID 6457922
2-(4-methylthiophen-3-yl)-1,3-benzoxazol-6-amine
CID 79802029
4-methyl-3-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 106847320
4-fluoro-3-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 54937320
4-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylaniline
CID 63675808
4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
CID 936032
2-(4-amino-2-methylphenyl)-6-fluoro-1,3-benzoxazol-5-amine
CID 163612509
4-chloro-3-(4-methyl-1,3-benzoxazol-2-yl)aniline
CID 54909808
4-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)propan-2-yl]aniline
CID 104503235
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
CID 63654204
2-[3-[9,9-dimethyl-7-[3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]fluoren-2-yl]phenyl]-5-methyl-[1,3]oxazolo[4,5-b]pyridine
CID 59738976
4-methyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632637

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (CID 113392437) is 4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is Cc1ccc2oc(-c3cc(N)ccc3C)nc2n1.
What is the InChIKey of 4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is WSWZITLNJGWBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-8-3-5-10(15)7-11(8)14-17-13-12(18-14)6-4-9(2)16-13/h3-7H,15H2,1-2H3.
What are the key properties of 4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 239.28 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 113392437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).