2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol

C15H26N2O2 — CID 71692954

IUPAC2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol
SMILESCC(C)N[C@H]1C[C@@H](Cc2cc(CCO)on2)C1(C)C
InChIInChI=1S/C15H26N2O2/c1-10(2)16-14-8-11(15(14,3)4)7-12-9-13(5-6-18)19-17-12/h9-11,14,16,18H,5-8H2,1-4H3/t11-,14+/m1/s1
InChIKeyZCHBOEVQBGJUQB-RISCZKNCSA-N
MW266.38 g/mol
LogP2.16
Rot. Bonds6

About 2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol

2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol (PubChem CID 71692954) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol
PubChem CID71692954
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol
SMILESCC(C)N[C@H]1C[C@@H](Cc2cc(CCO)on2)C1(C)C
InChIInChI=1S/C15H26N2O2/c1-10(2)16-14-8-11(15(14,3)4)7-12-9-13(5-6-18)19-17-12/h9-11,14,16,18H,5-8H2,1-4H3/t11-,14+/m1/s1
InChIKeyZCHBOEVQBGJUQB-RISCZKNCSA-N
XLogP2.16
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol?
The IUPAC name of 2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol (CID 71692954) is 2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for 2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for 2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol is CC(C)N[C@H]1C[C@@H](Cc2cc(CCO)on2)C1(C)C.
What is the InChIKey of 2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol?
The InChIKey is ZCHBOEVQBGJUQB-RISCZKNCSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(2)16-14-8-11(15(14,3)4)7-12-9-13(5-6-18)19-17-12/h9-11,14,16,18H,5-8H2,1-4H3/t11-,14+/m1/s1.
What are the key properties of 2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol?
2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol has a molecular weight of 266.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(1S,3S)-2,2-dimethyl-3-(propan-2-ylamino)cyclobutyl]methyl]-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 71692954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).