4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine

C48H48F2N8O11 — CID 164960333

IUPAC4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine
SMILESC1COCCN1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCOCC5)cc4)on3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)O)cc4)on3)c2cc1F
InChIInChI=1S/C24H23FN4O5.C20H16FN3O5.C4H9NO/c1-31-10-11-33-22-13-19-17(12-18(22)25)23(27-26-19)20-14-21(34-28-20)15-2-4-16(5-3-15)24(30)29-6-8-32-9-7-29;1-27-6-7-28-18-9-15-13(8-14(18)21)19(23-22-15)16-10-17(29-24-16)11-2-4-12(5-3-11)20(25)26;1-3-6-4-2-5-1/h2-5,12-14H,6-11H2,1H3,(H,26,27);2-5,8-10H,6-7H2,1H3,(H,22,23)(H,25,26);5H,1-4H2
InChIKeyBTEAONOTSGDVKR-UHFFFAOYSA-N
MW950.95 g/mol
LogP6.88
Rot. Bonds14

About 4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine

4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine (PubChem CID 164960333) has the molecular formula C48H48F2N8O11 and a molecular weight of 950.95 g/mol. Its IUPAC name is 4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine.

Molecular Properties

Compound Name4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine
PubChem CID164960333
Molecular FormulaC48H48F2N8O11
Molecular Weight950.95 g/mol
Exact Mass950.34
IUPAC Name4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine
SMILESC1COCCN1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCOCC5)cc4)on3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)O)cc4)on3)c2cc1F
InChIInChI=1S/C24H23FN4O5.C20H16FN3O5.C4H9NO/c1-31-10-11-33-22-13-19-17(12-18(22)25)23(27-26-19)20-14-21(34-28-20)15-2-4-16(5-3-15)24(30)29-6-8-32-9-7-29;1-27-6-7-28-18-9-15-13(8-14(18)21)19(23-22-15)16-10-17(29-24-16)11-2-4-12(5-3-11)20(25)26;1-3-6-4-2-5-1/h2-5,12-14H,6-11H2,1H3,(H,26,27);2-5,8-10H,6-7H2,1H3,(H,22,23)(H,25,26);5H,1-4H2
InChIKeyBTEAONOTSGDVKR-UHFFFAOYSA-N
XLogP6.88
TPSA234.44 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500950.95
LogP ≤ 56.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine with MolForge

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Related Compounds

[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 154679435
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 154679438
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 154679443
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 154679445
[2-fluoro-4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1,3-oxazinan-3-yl)methanone
CID 154679449
4-[1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]benzoyl]azetidin-3-yl]morpholin-3-one
CID 154679452
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)methanone
CID 154679456
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[(3S)-3-methylmorpholin-4-yl]methanone
CID 154679458
[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 154679461
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
CID 154679464
[2-fluoro-4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-[4-(oxetan-3-yl)piperazin-1-yl]methanone
CID 154679468
[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(2-hydroxy-4-azaspiro[2.4]heptan-4-yl)methanone
CID 154679475

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine?
The IUPAC name of 4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine (CID 164960333) is 4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine.
What is the SMILES notation for 4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine?
The canonical SMILES for 4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine is C1COCCN1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5CCOCC5)cc4)on3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)O)cc4)on3)c2cc1F.
What is the InChIKey of 4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine?
The InChIKey is BTEAONOTSGDVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5.C20H16FN3O5.C4H9NO/c1-31-10-11-33-22-13-19-17(12-18(22)25)23(27-26-19)20-14-21(34-28-20)15-2-4-16(5-3-15)24(30)29-6-8-32-9-7-29;1-27-6-7-28-18-9-15-13(8-14(18)21)19(23-22-15)16-10-17(29-24-16)11-2-4-12(5-3-11)20(25)26;1-3-6-4-2-5-1/h2-5,12-14H,6-11H2,1H3,(H,26,27);2-5,8-10H,6-7H2,1H3,(H,22,23)(H,25,26);5H,1-4H2.
What are the key properties of 4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine?
4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine has a molecular weight of 950.95 g/mol, XLogP of 6.88, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]benzoic acid;[4-[3-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-5-yl]phenyl]-morpholin-4-ylmethanone;morpholine is sourced from PubChem (CID 164960333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).