5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole

C24H27N5O2 — CID 163253889

IUPAC5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
SMILESCc1cccc2n[nH]c(C3CCN(c4ccc5oc(N6CCOCC6)nc5c4)CC3)c12
InChIInChI=1S/C24H27N5O2/c1-16-3-2-4-19-22(16)23(27-26-19)17-7-9-28(10-8-17)18-5-6-21-20(15-18)25-24(31-21)29-11-13-30-14-12-29/h2-6,15,17H,7-14H2,1H3,(H,26,27)
InChIKeyLOQAHBJIKIRJBX-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.23
Rot. Bonds3

About 5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole

5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole (PubChem CID 163253889) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
PubChem CID163253889
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
SMILESCc1cccc2n[nH]c(C3CCN(c4ccc5oc(N6CCOCC6)nc5c4)CC3)c12
InChIInChI=1S/C24H27N5O2/c1-16-3-2-4-19-22(16)23(27-26-19)17-7-9-28(10-8-17)18-5-6-21-20(15-18)25-24(31-21)29-11-13-30-14-12-29/h2-6,15,17H,7-14H2,1H3,(H,26,27)
InChIKeyLOQAHBJIKIRJBX-UHFFFAOYSA-N
XLogP4.23
TPSA70.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
CID 163253930
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole
CID 127323044
4-[4-[4-(7-fluoro-2H-indazol-3-yl)piperidin-1-yl]phenyl]morpholine
CID 170426453
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole
CID 70720553
2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole
CID 75411650
2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;tetrakis(tritiomethane)
CID 157307876
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578
6-(7-fluoro-5-methyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
CID 177148876
2-[(5R)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 174972137
1-(4-methylsulfonylphenyl)-4-piperidin-4-ylpiperidine;2-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]-1,3-benzoxazole
CID 160762911
2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1,3-benzoxazole
CID 71891792

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole?
The IUPAC name of 5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole (CID 163253889) is 5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole?
The canonical SMILES for 5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole is Cc1cccc2n[nH]c(C3CCN(c4ccc5oc(N6CCOCC6)nc5c4)CC3)c12.
What is the InChIKey of 5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole?
The InChIKey is LOQAHBJIKIRJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-3-2-4-19-22(16)23(27-26-19)17-7-9-28(10-8-17)18-5-6-21-20(15-18)25-24(31-21)29-11-13-30-14-12-29/h2-6,15,17H,7-14H2,1H3,(H,26,27).
What are the key properties of 5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole?
5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole has a molecular weight of 417.51 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 163253889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).