[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol

C12H22N4O2 — CID 113377471

IUPAC[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol
SMILESCN(C)CCN1CCN(c2nc(CO)co2)CC1
InChIInChI=1S/C12H22N4O2/c1-14(2)3-4-15-5-7-16(8-6-15)12-13-11(9-17)10-18-12/h10,17H,3-9H2,1-2H3
InChIKeyYLSMTHUDOUUSTB-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.15
Rot. Bonds5

About [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol

[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol (PubChem CID 113377471) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol
PubChem CID113377471
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol
SMILESCN(C)CCN1CCN(c2nc(CO)co2)CC1
InChIInChI=1S/C12H22N4O2/c1-14(2)3-4-15-5-7-16(8-6-15)12-13-11(9-17)10-18-12/h10,17H,3-9H2,1-2H3
InChIKeyYLSMTHUDOUUSTB-UHFFFAOYSA-N
XLogP-0.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 104113997
[2-[Methyl(2,2,2-trifluoroethyl)amino]-1,3-oxazol-4-yl]methanol
CID 104115269
[2-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-oxazol-4-yl]methanol
CID 104115348
[2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-oxazol-4-yl]methanol
CID 104115352
[2-[Propyl(2,2,2-trifluoroethyl)amino]-1,3-oxazol-4-yl]methanol
CID 104115353
[2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-oxazol-4-yl]methanol
CID 104115354
[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,3-oxazol-4-yl]methanol
CID 104115393
[2-[Methyl(3,3,3-trifluoropropyl)amino]-1,3-oxazol-4-yl]methanol
CID 104115448
[2-[4-(Trifluoromethyl)piperidin-1-yl]-1,3-oxazol-4-yl]methanol
CID 104115449
2-[2,2-Difluoroethyl-[4-(hydroxymethyl)-1,3-oxazol-2-yl]amino]ethanol
CID 107484648
2-[[4-(Hydroxymethyl)-1,3-oxazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484672
1-[4-(Hydroxymethyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 112737881

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol (CID 113377471) is [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol is CN(C)CCN1CCN(c2nc(CO)co2)CC1.
What is the InChIKey of [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol?
The InChIKey is YLSMTHUDOUUSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-14(2)3-4-15-5-7-16(8-6-15)12-13-11(9-17)10-18-12/h10,17H,3-9H2,1-2H3.
What are the key properties of [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol?
[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol has a molecular weight of 254.33 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 113377471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).