5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole

C19H17ClN4O3 — CID 154679652

IUPAC5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C)nc4)no3)c2cc1Cl
InChIInChI=1S/C19H17ClN4O3/c1-11-3-4-12(10-21-11)15-8-18(27-24-15)19-13-7-14(20)17(26-6-5-25-2)9-16(13)22-23-19/h3-4,7-10H,5-6H2,1-2H3,(H,22,23)
InChIKeyHASRFSOPKRWMKR-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.27
Rot. Bonds6

About 5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole

5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole (PubChem CID 154679652) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole
PubChem CID154679652
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4ccc(C)nc4)no3)c2cc1Cl
InChIInChI=1S/C19H17ClN4O3/c1-11-3-4-12(10-21-11)15-8-18(27-24-15)19-13-7-14(20)17(26-6-5-25-2)9-16(13)22-23-19/h3-4,7-10H,5-6H2,1-2H3,(H,22,23)
InChIKeyHASRFSOPKRWMKR-UHFFFAOYSA-N
XLogP4.27
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The IUPAC name of 5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole (CID 154679652) is 5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The canonical SMILES for 5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C)nc4)no3)c2cc1Cl.
What is the InChIKey of 5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The InChIKey is HASRFSOPKRWMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-11-3-4-12(10-21-11)15-8-18(27-24-15)19-13-7-14(20)17(26-6-5-25-2)9-16(13)22-23-19/h3-4,7-10H,5-6H2,1-2H3,(H,22,23).
What are the key properties of 5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole has a molecular weight of 384.82 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(6-methyl-3-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 154679652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).