4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine

C23H23N5O2 — CID 135461250

IUPAC4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
SMILESc1cc2[nH]c(-c3n[nH]c4cc(C5=NCCO5)ccc34)cc2cc1CN1CCOCC1
InChIInChI=1S/C23H23N5O2/c1-4-19-17(11-15(1)14-28-6-9-29-10-7-28)13-21(25-19)22-18-3-2-16(12-20(18)26-27-22)23-24-5-8-30-23/h1-4,11-13,25H,5-10,14H2,(H,26,27)
InChIKeyUAWIVAGYQJXODL-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.32
Rot. Bonds4

About 4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine

4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine (PubChem CID 135461250) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
PubChem CID135461250
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
SMILESc1cc2[nH]c(-c3n[nH]c4cc(C5=NCCO5)ccc34)cc2cc1CN1CCOCC1
InChIInChI=1S/C23H23N5O2/c1-4-19-17(11-15(1)14-28-6-9-29-10-7-28)13-21(25-19)22-18-3-2-16(12-20(18)26-27-22)23-24-5-8-30-23/h1-4,11-13,25H,5-10,14H2,(H,26,27)
InChIKeyUAWIVAGYQJXODL-UHFFFAOYSA-N
XLogP3.32
TPSA78.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine
CID 170984757
3-[5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carboxylic acid
CID 141148126
3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazole-6-carbonitrile
CID 135468045
1-[4-[[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone
CID 170984654
2-(5-fluoro-1H-indol-2-yl)-4,5-dihydro-1,3-oxazole
CID 145057906
4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine
CID 87554292
5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135687542
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781
1-[[2-(5-ethynyl-4-methyl-1H-pyrazol-3-yl)-1H-indol-5-yl]methyl]-4-methyl-1,4-diazepan-5-one
CID 142221993
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778
6-chloro-3-(5-methyl-1H-indol-2-yl)-1H-indazole
CID 135409284
8-methoxy-5-[3-[4-(morpholin-4-ylmethyl)phenyl]-1H-indazol-6-yl]-3,4,5,6-tetrahydro-1H-1-benzazocin-2-one
CID 146257945

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine (CID 135461250) is 4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine is c1cc2[nH]c(-c3n[nH]c4cc(C5=NCCO5)ccc34)cc2cc1CN1CCOCC1.
What is the InChIKey of 4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine?
The InChIKey is UAWIVAGYQJXODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-4-19-17(11-15(1)14-28-6-9-29-10-7-28)13-21(25-19)22-18-3-2-16(12-20(18)26-27-22)23-24-5-8-30-23/h1-4,11-13,25H,5-10,14H2,(H,26,27).
What are the key properties of 4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine?
4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine has a molecular weight of 401.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine is sourced from PubChem (CID 135461250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).