4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole

C17H19N3O2 — CID 126951645

IUPAC4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole
SMILESc1cc(OC2CCN(Cc3cocn3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C17H19N3O2/c1-2-16-15(4-7-18-16)17(3-1)22-14-5-8-20(9-6-14)10-13-11-21-12-19-13/h1-4,7,11-12,14,18H,5-6,8-10H2
InChIKeyKPQXXURZQAUHJW-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.20
Rot. Bonds4

About 4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole

4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 126951645) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID126951645
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole
SMILESc1cc(OC2CCN(Cc3cocn3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C17H19N3O2/c1-2-16-15(4-7-18-16)17(3-1)22-14-5-8-20(9-6-14)10-13-11-21-12-19-13/h1-4,7,11-12,14,18H,5-6,8-10H2
InChIKeyKPQXXURZQAUHJW-UHFFFAOYSA-N
XLogP3.20
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole
CID 126951596
4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951608
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126951620
2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 126951577
4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole
CID 126952428
6-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 126951563
4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
CID 126951523
4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951530
4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951709
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1H-indole
CID 126951673
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126951612
1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 126951691

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole (CID 126951645) is 4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole is c1cc(OC2CCN(Cc3cocn3)CC2)c2cc[nH]c2c1.
What is the InChIKey of 4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is KPQXXURZQAUHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-16-15(4-7-18-16)17(3-1)22-14-5-8-20(9-6-14)10-13-11-21-12-19-13/h1-4,7,11-12,14,18H,5-6,8-10H2.
What are the key properties of 4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole?
4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 297.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 126951645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).