1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol

C21H21N3O2 — CID 143969078

IUPAC1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol
SMILESCn1ccc2cc(-c3ccc4oc(N5CCC(O)CC5)nc4c3)ccc21
InChIInChI=1S/C21H21N3O2/c1-23-9-6-16-12-14(2-4-19(16)23)15-3-5-20-18(13-15)22-21(26-20)24-10-7-17(25)8-11-24/h2-6,9,12-13,17,25H,7-8,10-11H2,1H3
InChIKeyVNPWXPOYWWSTMG-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.95
Rot. Bonds2

About 1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol

1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol (PubChem CID 143969078) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol
PubChem CID143969078
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol
SMILESCn1ccc2cc(-c3ccc4oc(N5CCC(O)CC5)nc4c3)ccc21
InChIInChI=1S/C21H21N3O2/c1-23-9-6-16-12-14(2-4-19(16)23)15-3-5-20-18(13-15)22-21(26-20)24-10-7-17(25)8-11-24/h2-6,9,12-13,17,25H,7-8,10-11H2,1H3
InChIKeyVNPWXPOYWWSTMG-UHFFFAOYSA-N
XLogP3.95
TPSA54.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
CID 68657908
5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 143969091
2-(2,3-dihydroindol-1-yl)-5-(1-methylindol-5-yl)-1,3-benzoxazole
CID 68657629
N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 68658294
5-phenyl-2-piperidin-1-yl-1,3-benzoxazole
CID 102300837
N-(4-methoxyphenyl)-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 45278624
5-(1-methylindol-5-yl)-N-thiophen-2-yl-1,3-benzoxazol-2-amine
CID 68657897
5-[4-(1-methylindol-3-yl)piperidin-1-yl]-2-morpholin-4-yl-1,3-benzoxazole
CID 163253930
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]methanol
CID 172882629
N-[2-(4-hydroxypiperidin-1-yl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 140881045
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890054
1-(2-pyrrolidin-1-yl-1,3-benzoxazol-5-yl)ethanone
CID 83894123

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol?
The IUPAC name of 1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol (CID 143969078) is 1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol is Cn1ccc2cc(-c3ccc4oc(N5CCC(O)CC5)nc4c3)ccc21.
What is the InChIKey of 1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol?
The InChIKey is VNPWXPOYWWSTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-23-9-6-16-12-14(2-4-19(16)23)15-3-5-20-18(13-15)22-21(26-20)24-10-7-17(25)8-11-24/h2-6,9,12-13,17,25H,7-8,10-11H2,1H3.
What are the key properties of 1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol?
1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol has a molecular weight of 347.42 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methylindol-5-yl)-1,3-benzoxazol-2-yl]piperidin-4-ol is sourced from PubChem (CID 143969078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).