5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole

C17H16FN5O3 — CID 154679534

IUPAC5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4cnn(C)c4)no3)c2cc1F
InChIInChI=1S/C17H16FN5O3/c1-23-9-10(8-19-23)13-6-16(26-22-13)17-11-5-12(18)15(25-4-3-24-2)7-14(11)20-21-17/h5-9H,3-4H2,1-2H3,(H,20,21)
InChIKeyHXHYPBKRMTWEOI-UHFFFAOYSA-N
MW357.35 g/mol
LogP2.78
Rot. Bonds6

About 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole

5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole (PubChem CID 154679534) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole
PubChem CID154679534
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole
SMILESCOCCOc1cc2[nH]nc(-c3cc(-c4cnn(C)c4)no3)c2cc1F
InChIInChI=1S/C17H16FN5O3/c1-23-9-10(8-19-23)13-6-16(26-22-13)17-11-5-12(18)15(25-4-3-24-2)7-14(11)20-21-17/h5-9H,3-4H2,1-2H3,(H,20,21)
InChIKeyHXHYPBKRMTWEOI-UHFFFAOYSA-N
XLogP2.78
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

US10435405, Example 35
CID 134328076
3-(3-{4-[(trans)-4-methyl-octahydropyrrolo[3,2-b]pyrrol-1-yl]phenyl}-1,2-oxazol-5-yl)-5-fluoro-6-(2-methoxyethoxy)-1H-indazole
CID 154679437
{[1-(4-{5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl}benzoyl)pyrrolidin-2-yl]methyl}(methyl)amine
CID 154679438
4-(4-{5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl}phenyl)morpholin-3-one
CID 154679442
2-[(2S)-1-(4-{5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl}benzoyl)pyrrolidin-2-yl]propan-2-ol
CID 154679443
2-{5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl}-N,N-dimethyl-1,3-thiazole-5-carboxamide
CID 154679446
5-fluoro-6-(2-methoxyethoxy)-3-(3-{4-[2-(piperazin-1-yl)ethoxy]phenyl}-1,2-oxazol-5-yl)-1H-indazole
CID 154679450
5-fluoro-6-(2-methoxy-ethoxy)-3-{3-[4-(1,3,3-trimethyl-piperidin-4-yl)-phenyl]-isoxazol-5-yl}-1H-indazole
CID 154679469
2-(4-{5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl}phenyl)-2,3-dihydropyridazin-3-one
CID 154679470
5-fluoro-6-(2-methoxyethoxy)-3-(3-{5-[3-(morpholin-4-yl)azetidine-1-carbonyl]pyridin-2-yl}-1,2-oxazol-5-yl)-1H-indazole
CID 154679485
3-(3-{4-[(cis)-octahydropyrano[3,4-c]pyrrole-2-carbonyl]phenyl}-1,2-oxazol-5-yl)-5-fluoro-6-(2-methoxyethoxy)-1H-indazole
CID 154679490
3-{5-[5-fluoro-6-(2-methoxy-ethoxy)-1H-indazol-3-yl]-isoxazol-3-yl}-N,N-dimethyl-benzamide
CID 154679504

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole (CID 154679534) is 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole is COCCOc1cc2[nH]nc(-c3cc(-c4cnn(C)c4)no3)c2cc1F.
What is the InChIKey of 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is HXHYPBKRMTWEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-23-9-10(8-19-23)13-6-16(26-22-13)17-11-5-12(18)15(25-4-3-24-2)7-14(11)20-21-17/h5-9H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole?
5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 357.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-(1-methylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 154679534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).