2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole

C22H27N3O2 — CID 131902815

IUPAC2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole
SMILESc1coc(CN2CCC(N3CCCC(c4nc5ccccc5o4)C3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-2-8-21-20(7-1)23-22(27-21)17-5-3-11-25(15-17)18-9-12-24(13-10-18)16-19-6-4-14-26-19/h1-2,4,6-8,14,17-18H,3,5,9-13,15-16H2
InChIKeyWARSSMVJDPITJC-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.26
Rot. Bonds4

About 2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole

2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole (PubChem CID 131902815) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole
PubChem CID131902815
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole
SMILESc1coc(CN2CCC(N3CCCC(c4nc5ccccc5o4)C3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-2-8-21-20(7-1)23-22(27-21)17-5-3-11-25(15-17)18-9-12-24(13-10-18)16-19-6-4-14-26-19/h1-2,4,6-8,14,17-18H,3,5,9-13,15-16H2
InChIKeyWARSSMVJDPITJC-UHFFFAOYSA-N
XLogP4.26
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-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

(3S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one
CID 37080640
(3R)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]oxolan-2-one
CID 37080644
2-[3-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119064256
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009367
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 25458988
2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
2-[1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126767222
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 42960378
(3S,4R)-4-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1,1-dioxothiolan-3-ol
CID 98788058
4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51144926
1-(furan-2-ylmethyl)-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 131919672
2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126811031

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole (CID 131902815) is 2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole is c1coc(CN2CCC(N3CCCC(c4nc5ccccc5o4)C3)CC2)c1.
What is the InChIKey of 2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole?
The InChIKey is WARSSMVJDPITJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-8-21-20(7-1)23-22(27-21)17-5-3-11-25(15-17)18-9-12-24(13-10-18)16-19-6-4-14-26-19/h1-2,4,6-8,14,17-18H,3,5,9-13,15-16H2.
What are the key properties of 2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole?
2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole has a molecular weight of 365.48 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 131902815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).