2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol

C11H22N2O2 — CID 10059099

IUPAC2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
SMILESCC1=NOC(C(O)CNCC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-8-5-10(15-13-8)9(14)6-12-7-11(2,3)4/h9-10,12,14H,5-7H2,1-4H3
InChIKeyBRTUNXKZLVUGLC-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.15
Rot. Bonds4

About 2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol

2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol (PubChem CID 10059099) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
PubChem CID10059099
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol
SMILESCC1=NOC(C(O)CNCC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-8-5-10(15-13-8)9(14)6-12-7-11(2,3)4/h9-10,12,14H,5-7H2,1-4H3
InChIKeyBRTUNXKZLVUGLC-UHFFFAOYSA-N
XLogP1.15
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The IUPAC name of 2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol (CID 10059099) is 2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol.
What is the SMILES notation for 2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The canonical SMILES for 2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol is CC1=NOC(C(O)CNCC(C)(C)C)C1.
What is the InChIKey of 2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
The InChIKey is BRTUNXKZLVUGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-5-10(15-13-8)9(14)6-12-7-11(2,3)4/h9-10,12,14H,5-7H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol?
2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol has a molecular weight of 214.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylamino)-1-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)ethanol is sourced from PubChem (CID 10059099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).