4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole

C21H25N3O2 — CID 126952428

IUPAC4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole
SMILESc1cc(OC2CCN(Cc3cocn3)CC2)c2ccn(CC3CC3)c2c1
InChIInChI=1S/C21H25N3O2/c1-2-20-19(8-11-24(20)12-16-4-5-16)21(3-1)26-18-6-9-23(10-7-18)13-17-14-25-15-22-17/h1-3,8,11,14-16,18H,4-7,9-10,12-13H2
InChIKeyJPWGNKZMNMJGOS-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.08
Rot. Bonds6

About 4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole

4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 126952428) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole
PubChem CID126952428
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole
SMILESc1cc(OC2CCN(Cc3cocn3)CC2)c2ccn(CC3CC3)c2c1
InChIInChI=1S/C21H25N3O2/c1-2-20-19(8-11-24(20)12-16-4-5-16)21(3-1)26-18-6-9-23(10-7-18)13-17-14-25-15-22-17/h1-3,8,11,14-16,18H,4-7,9-10,12-13H2
InChIKeyJPWGNKZMNMJGOS-UHFFFAOYSA-N
XLogP4.08
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1-methylpyrazin-2-one
CID 126952400
4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 126951645
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
4-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]oxy-1-(2,2,2-trifluoroethyl)indole
CID 126952593
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 126952332
4-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 126952881
2-[4-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953420
6-[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-2-methylpyridazin-3-one
CID 126952470
5-[[4-[1-(2,2-difluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126952873
[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 126952338
4-[[4-(7-benzylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]methyl]-1,3-oxazole
CID 70693671
4-ethoxy-1-(oxan-4-ylmethyl)indole
CID 83174245

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole (CID 126952428) is 4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole is c1cc(OC2CCN(Cc3cocn3)CC2)c2ccn(CC3CC3)c2c1.
What is the InChIKey of 4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is JPWGNKZMNMJGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-20-19(8-11-24(20)12-16-4-5-16)21(3-1)26-18-6-9-23(10-7-18)13-17-14-25-15-22-17/h1-3,8,11,14-16,18H,4-7,9-10,12-13H2.
What are the key properties of 4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole?
4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 351.45 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[1-(cyclopropylmethyl)indol-4-yl]oxypiperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 126952428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).