6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H21N5O3 — CID 44821783

IUPAC6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3ccnn3C)c3c(C)noc3n2)cc1
InChIInChI=1S/C21H21N5O3/c1-13-19-17(21(27)25(2)12-15-9-10-22-26(15)3)11-18(23-20(19)29-24-13)14-5-7-16(28-4)8-6-14/h5-11H,12H2,1-4H3
InChIKeyCOZJSJHSBXXZCM-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.21
Rot. Bonds5

About 6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44821783) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44821783
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)Cc3ccnn3C)c3c(C)noc3n2)cc1
InChIInChI=1S/C21H21N5O3/c1-13-19-17(21(27)25(2)12-15-9-10-22-26(15)3)11-18(23-20(19)29-24-13)14-5-7-16(28-4)8-6-14/h5-11H,12H2,1-4H3
InChIKeyCOZJSJHSBXXZCM-UHFFFAOYSA-N
XLogP3.21
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44821783) is 6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)N(C)Cc3ccnn3C)c3c(C)noc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is COZJSJHSBXXZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-13-19-17(21(27)25(2)12-15-9-10-22-26(15)3)11-18(23-20(19)29-24-13)14-5-7-16(28-4)8-6-14/h5-11H,12H2,1-4H3.
What are the key properties of 6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44821783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).