6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H23N5O3 — CID 44824210

IUPAC6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)NC(C)CCc3ccco3)c3c(C)noc3n2)n1
InChIInChI=1S/C21H23N5O3/c1-4-26-10-9-17(24-26)18-12-16(19-14(3)25-29-21(19)23-18)20(27)22-13(2)7-8-15-6-5-11-28-15/h5-6,9-13H,4,7-8H2,1-3H3,(H,22,27)
InChIKeyILKMZCGSBQYBTH-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.76
Rot. Bonds7

About 6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44824210) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44824210
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ccc(-c2cc(C(=O)NC(C)CCc3ccco3)c3c(C)noc3n2)n1
InChIInChI=1S/C21H23N5O3/c1-4-26-10-9-17(24-26)18-12-16(19-14(3)25-29-21(19)23-18)20(27)22-13(2)7-8-15-6-5-11-28-15/h5-6,9-13H,4,7-8H2,1-3H3,(H,22,27)
InChIKeyILKMZCGSBQYBTH-UHFFFAOYSA-N
XLogP3.76
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 44824210) is 6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCn1ccc(-c2cc(C(=O)NC(C)CCc3ccco3)c3c(C)noc3n2)n1.
What is the InChIKey of 6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ILKMZCGSBQYBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-4-26-10-9-17(24-26)18-12-16(19-14(3)25-29-21(19)23-18)20(27)22-13(2)7-8-15-6-5-11-28-15/h5-6,9-13H,4,7-8H2,1-3H3,(H,22,27).
What are the key properties of 6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44824210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).