3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole

C17H23N3O2 — CID 97159928

IUPAC3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESC[C@H]1C[C@@H]1c1ccc(CN2CCN(Cc3ccon3)CC2)o1
InChIInChI=1S/C17H23N3O2/c1-13-10-16(13)17-3-2-15(22-17)12-20-7-5-19(6-8-20)11-14-4-9-21-18-14/h2-4,9,13,16H,5-8,10-12H2,1H3/t13-,16-/m0/s1
InChIKeyIDHFRYXYPRVBHW-BBRMVZONSA-N
MW301.39 g/mol
LogP2.71
Rot. Bonds5

About 3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole

3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 97159928) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID97159928
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole
SMILESC[C@H]1C[C@@H]1c1ccc(CN2CCN(Cc3ccon3)CC2)o1
InChIInChI=1S/C17H23N3O2/c1-13-10-16(13)17-3-2-15(22-17)12-20-7-5-19(6-8-20)11-14-4-9-21-18-14/h2-4,9,13,16H,5-8,10-12H2,1H3/t13-,16-/m0/s1
InChIKeyIDHFRYXYPRVBHW-BBRMVZONSA-N
XLogP2.71
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole with MolForge

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Related Compounds

1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 65056448
2-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 75438560
N-methyl-1-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanamine
CID 55168091
4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 97159814
2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 97160160
2,2-dimethyl-4-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 97160162
2-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azetidin-3-yl]acetic acid
CID 65069383
3-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 54024148
2-[ethyl-[1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043157
1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 97157966
N-ethyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 81178472
2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916463

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole (CID 97159928) is 3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole is C[C@H]1C[C@@H]1c1ccc(CN2CCN(Cc3ccon3)CC2)o1.
What is the InChIKey of 3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is IDHFRYXYPRVBHW-BBRMVZONSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-10-16(13)17-3-2-15(22-17)12-20-7-5-19(6-8-20)11-14-4-9-21-18-14/h2-4,9,13,16H,5-8,10-12H2,1H3/t13-,16-/m0/s1.
What are the key properties of 3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole?
3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 301.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 97159928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).