2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol

C17H27N3O2 — CID 91835722

IUPAC2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cc(C3CC3)on2)CCN1CC1CC1
InChIInChI=1S/C17H27N3O2/c21-8-5-16-12-19(6-7-20(16)10-13-1-2-13)11-15-9-17(22-18-15)14-3-4-14/h9,13-14,16,21H,1-8,10-12H2
InChIKeyFFPLWWGFLDHPPP-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.83
Rot. Bonds7

About 2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol

2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 91835722) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol
PubChem CID91835722
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2cc(C3CC3)on2)CCN1CC1CC1
InChIInChI=1S/C17H27N3O2/c21-8-5-16-12-19(6-7-20(16)10-13-1-2-13)11-15-9-17(22-18-15)14-3-4-14/h9,13-14,16,21H,1-8,10-12H2
InChIKeyFFPLWWGFLDHPPP-UHFFFAOYSA-N
XLogP1.83
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-3-[[3-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 171326449
5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 53017343
2-[(2R)-1-(cyclohexylmethyl)-4-[(3,5-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29087603
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol
CID 171323981
2-[(2R)-4-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(cyclohexylmethyl)piperazin-2-yl]ethanol
CID 28786044
5-cyclopropyl-3-[[3-(difluoromethyl)azetidin-1-yl]methyl]-1,2-oxazole
CID 171994431
5-cyclopropyl-3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-1,2-oxazole
CID 171999260
2-[1-(cyclohexylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 45205791
2-[(2R)-1-(cyclohexylmethyl)-4-[(2,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 29151142
2-[1-(cyclohexylmethyl)-4-(pyridin-3-ylmethyl)piperazin-2-yl]ethanol
CID 45241392
4-[[4-(cyclohexylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 45247515
2-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]propan-2-ol
CID 172890964

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol (CID 91835722) is 2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol is OCCC1CN(Cc2cc(C3CC3)on2)CCN1CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is FFPLWWGFLDHPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c21-8-5-16-12-19(6-7-20(16)10-13-1-2-13)11-15-9-17(22-18-15)14-3-4-14/h9,13-14,16,21H,1-8,10-12H2.
What are the key properties of 2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol?
2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 305.42 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 91835722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).