2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol

C15H28N2O2 — CID 62015490

IUPAC2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C15H28N2O2/c1-6-12(7-2)17(8-9-18)11-14-16-10-13(19-14)15(3,4)5/h10,12,18H,6-9,11H2,1-5H3
InChIKeyFIDWRUCJZHYLJI-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.95
Rot. Bonds7

About 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol

2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol (PubChem CID 62015490) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol
PubChem CID62015490
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C15H28N2O2/c1-6-12(7-2)17(8-9-18)11-14-16-10-13(19-14)15(3,4)5/h10,12,18H,6-9,11H2,1-5H3
InChIKeyFIDWRUCJZHYLJI-UHFFFAOYSA-N
XLogP2.95
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,1-Dimethylethyl)-2-oxazolemethanol
CID 22731089
(1-((5-(Tert-butyl)oxazol-2-yl)methyl)piperidin-4-yl)methanol
CID 52274438
4-[[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 53529388
(S)-(1-((5-(tert-Butyl)oxazol-2-yl)methyl)pyrrolidin-2-yl)methanol
CID 53574116
5-Tert-butyl-2-[(2-ethylpiperidin-1-yl)methyl]-1,3-oxazole
CID 56684365
N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 71895082
N-[1-(cyclobutylmethyl)pyrrolidin-3-yl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]acetamide
CID 71928331
1-(cyclobutylmethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71928382
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 71928387
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377165
5-Tert-butyl-2-methyl-1,3-oxazole
CID 12639617
2,5-Ditert-butyl-1,3-oxazole
CID 12639618

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol (CID 62015490) is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The InChIKey is FIDWRUCJZHYLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-6-12(7-2)17(8-9-18)11-14-16-10-13(19-14)15(3,4)5/h10,12,18H,6-9,11H2,1-5H3.
What are the key properties of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol?
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol has a molecular weight of 268.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62015490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).