3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide

C16H15N3O4 — CID 30851438

IUPAC3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2noc3nc(C)ccc23)c1
InChIInChI=1S/C16H15N3O4/c1-9-4-5-13-14(19-23-16(13)17-9)18-15(20)10-6-11(21-2)8-12(7-10)22-3/h4-8H,1-3H3,(H,18,19,20)
InChIKeyZLMILSDIJAITIF-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.80
Rot. Bonds4

About 3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide

3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide (PubChem CID 30851438) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide
PubChem CID30851438
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2noc3nc(C)ccc23)c1
InChIInChI=1S/C16H15N3O4/c1-9-4-5-13-14(19-23-16(13)17-9)18-15(20)10-6-11(21-2)8-12(7-10)22-3/h4-8H,1-3H3,(H,18,19,20)
InChIKeyZLMILSDIJAITIF-UHFFFAOYSA-N
XLogP2.80
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 17191729
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
N-isoquinolin-5-yl-3,5-dimethoxybenzamide
CID 8763148
N-(4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)-3-methylbenzamide
CID 42110373
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266946
3,5-dimethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 1010376
3-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzamide
CID 42545360
N'-(3,5-dimethoxybenzoyl)-3-ethyl-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9328567
3,5-dimethoxy-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143045
N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide
CID 8797393
1-N,3-N-bis(3,5-dimethyl-4-pyridinyl)-5-methoxybenzene-1,3-dicarboxamide
CID 11211855
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide (CID 30851438) is 3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide is COc1cc(OC)cc(C(=O)Nc2noc3nc(C)ccc23)c1.
What is the InChIKey of 3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide?
The InChIKey is ZLMILSDIJAITIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9-4-5-13-14(19-23-16(13)17-9)18-15(20)10-6-11(21-2)8-12(7-10)22-3/h4-8H,1-3H3,(H,18,19,20).
What are the key properties of 3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide?
3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide has a molecular weight of 313.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(6-methyl-[1,2]oxazolo[5,4-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 30851438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).