6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide

C17H16N4O3 — CID 134588619

IUPAC6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2ccc(C(N)=O)cn2)cn1
InChIInChI=1S/C17H16N4O3/c1-10-3-4-12(7-19-10)16-14(11(2)24-21-16)9-23-15-6-5-13(8-20-15)17(18)22/h3-8H,9H2,1-2H3,(H2,18,22)
InChIKeyTVKPVFXZZBBIAN-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.43
Rot. Bonds5

About 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide

6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide (PubChem CID 134588619) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
PubChem CID134588619
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2ccc(C(N)=O)cn2)cn1
InChIInChI=1S/C17H16N4O3/c1-10-3-4-12(7-19-10)16-14(11(2)24-21-16)9-23-15-6-5-13(8-20-15)17(18)22/h3-8H,9H2,1-2H3,(H2,18,22)
InChIKeyTVKPVFXZZBBIAN-UHFFFAOYSA-N
XLogP2.43
TPSA104.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide (CID 134588619) is 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide is Cc1ccc(-c2noc(C)c2COc2ccc(C(N)=O)cn2)cn1.
What is the InChIKey of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
The InChIKey is TVKPVFXZZBBIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-3-4-12(7-19-10)16-14(11(2)24-21-16)9-23-15-6-5-13(8-20-15)17(18)22/h3-8H,9H2,1-2H3,(H2,18,22).
What are the key properties of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide?
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 134588619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).