2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol

C17H29N3O2 — CID 45228054

IUPAC2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2ccon2)CCN1CC1CCCCC1
InChIInChI=1S/C17H29N3O2/c21-10-6-17-14-19(13-16-7-11-22-18-16)8-9-20(17)12-15-4-2-1-3-5-15/h7,11,15,17,21H,1-6,8-10,12-14H2
InChIKeyLVSAAUPSMIQRIO-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.12
Rot. Bonds6

About 2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol

2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45228054) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45228054
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2ccon2)CCN1CC1CCCCC1
InChIInChI=1S/C17H29N3O2/c21-10-6-17-14-19(13-16-7-11-22-18-16)8-9-20(17)12-15-4-2-1-3-5-15/h7,11,15,17,21H,1-6,8-10,12-14H2
InChIKeyLVSAAUPSMIQRIO-UHFFFAOYSA-N
XLogP2.12
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol (CID 45228054) is 2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol is OCCC1CN(Cc2ccon2)CCN1CC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is LVSAAUPSMIQRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-10-6-17-14-19(13-16-7-11-22-18-16)8-9-20(17)12-15-4-2-1-3-5-15/h7,11,15,17,21H,1-6,8-10,12-14H2.
What are the key properties of 2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol?
2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 307.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-4-(1,2-oxazol-3-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45228054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).