5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole

C25H28N4O2 — CID 163253930

IUPAC5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
SMILESCn1cc(C2CCN(c3ccc4oc(N5CCOCC5)nc4c3)CC2)c2ccccc21
InChIInChI=1S/C25H28N4O2/c1-27-17-21(20-4-2-3-5-23(20)27)18-8-10-28(11-9-18)19-6-7-24-22(16-19)26-25(31-24)29-12-14-30-15-13-29/h2-7,16-18H,8-15H2,1H3
InChIKeyHYKQZYRYUPPFPQ-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.54
Rot. Bonds3

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

5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole (PubChem CID 163253930) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
PubChem CID163253930
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
SMILESCn1cc(C2CCN(c3ccc4oc(N5CCOCC5)nc4c3)CC2)c2ccccc21
InChIInChI=1S/C25H28N4O2/c1-27-17-21(20-4-2-3-5-23(20)27)18-8-10-28(11-9-18)19-6-7-24-22(16-19)26-25(31-24)29-12-14-30-15-13-29/h2-7,16-18H,8-15H2,1H3
InChIKeyHYKQZYRYUPPFPQ-UHFFFAOYSA-N
XLogP4.54
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidin-1-yl]phenyl]morpholine
CID 170426436
5-[4-(4-methyl-2H-indazol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
CID 163253889
1,5-dimethyl-3-(oxan-4-yl)indole
CID 170793056
1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol
CID 143969078
5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 90360740
4-(1-methylindol-3-yl)morpholine
CID 12530824
5-bromo-2-(1-phenylpiperidin-4-yl)-1,3-benzoxazole
CID 135155998
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-methyl-1,3-benzoxazole
CID 127323044
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
1-methyl-3-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]indole
CID 113087267
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 51179578
2-[2-[2-[2-[2-[2-[2-[7-fluoro-2-(2-morpholin-4-yl-1,3-benzoxazol-5-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 177148961

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole?
The IUPAC name of 5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole (CID 163253930) is 5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole?
The canonical SMILES for 5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole is Cn1cc(C2CCN(c3ccc4oc(N5CCOCC5)nc4c3)CC2)c2ccccc21.
What is the InChIKey of 5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole?
The InChIKey is HYKQZYRYUPPFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-27-17-21(20-4-2-3-5-23(20)27)18-8-10-28(11-9-18)19-6-7-24-22(16-19)26-25(31-24)29-12-14-30-15-13-29/h2-7,16-18H,8-15H2,1H3.
What are the key properties of 5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole?
5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole has a molecular weight of 416.53 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 163253930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).