5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide

C20H21N5O4 — CID 134588250

IUPAC5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2cnc(C(=O)N[C@@H]3CCOC3)cn2)cn1
InChIInChI=1S/C20H21N5O4/c1-12-3-4-14(7-21-12)19-16(13(2)29-25-19)11-28-18-9-22-17(8-23-18)20(26)24-15-5-6-27-10-15/h3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,24,26)/t15-/m1/s1
InChIKeyQBXAJZVKLDFPCI-OAHLLOKOSA-N
MW395.42 g/mol
LogP2.24
Rot. Bonds6

About 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide

5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide (PubChem CID 134588250) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide
PubChem CID134588250
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2cnc(C(=O)N[C@@H]3CCOC3)cn2)cn1
InChIInChI=1S/C20H21N5O4/c1-12-3-4-14(7-21-12)19-16(13(2)29-25-19)11-28-18-9-22-17(8-23-18)20(26)24-15-5-6-27-10-15/h3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,24,26)/t15-/m1/s1
InChIKeyQBXAJZVKLDFPCI-OAHLLOKOSA-N
XLogP2.24
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide (CID 134588250) is 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide is Cc1ccc(-c2noc(C)c2COc2cnc(C(=O)N[C@@H]3CCOC3)cn2)cn1.
What is the InChIKey of 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide?
The InChIKey is QBXAJZVKLDFPCI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-12-3-4-14(7-21-12)19-16(13(2)29-25-19)11-28-18-9-22-17(8-23-18)20(26)24-15-5-6-27-10-15/h3-4,7-9,15H,5-6,10-11H2,1-2H3,(H,24,26)/t15-/m1/s1.
What are the key properties of 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide?
5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3R)-oxolan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 134588250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).