N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide

C16H15N3O2 — CID 42110373

IUPACN-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2noc3nc(C)cc(C)c23)c1
InChIInChI=1S/C16H15N3O2/c1-9-5-4-6-12(7-9)15(20)18-14-13-10(2)8-11(3)17-16(13)21-19-14/h4-8H,1-3H3,(H,18,19,20)
InChIKeyFXIMSHKMQXIXOA-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.40
Rot. Bonds2

About N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide

N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide (PubChem CID 42110373) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide
PubChem CID42110373
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2noc3nc(C)cc(C)c23)c1
InChIInChI=1S/C16H15N3O2/c1-9-5-4-6-12(7-9)15(20)18-14-13-10(2)8-11(3)17-16(13)21-19-14/h4-8H,1-3H3,(H,18,19,20)
InChIKeyFXIMSHKMQXIXOA-UHFFFAOYSA-N
XLogP3.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)benzamide
CID 91710473
3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide
CID 11989435
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
3-chloro-N-[4,6-dimethyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]benzamide
CID 71840586
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
N-(4,6-dimethylthieno[2,3-b]pyridin-3-yl)benzamide
CID 23912881
3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide
CID 53143345
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide
CID 30851438
3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide
CID 54068309
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide?
The IUPAC name of N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide (CID 42110373) is N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide.
What is the SMILES notation for N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide?
The canonical SMILES for N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2noc3nc(C)cc(C)c23)c1.
What is the InChIKey of N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide?
The InChIKey is FXIMSHKMQXIXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-5-4-6-12(7-9)15(20)18-14-13-10(2)8-11(3)17-16(13)21-19-14/h4-8H,1-3H3,(H,18,19,20).
What are the key properties of N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide?
N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide has a molecular weight of 281.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide is sourced from PubChem (CID 42110373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).