(1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol

C11H22N2O2 — CID 10081975

IUPAC(1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCC(C)NC[C@H](O)[C@H]1CC(C(C)C)=NO1
InChIInChI=1S/C11H22N2O2/c1-7(2)9-5-11(15-13-9)10(14)6-12-8(3)4/h7-8,10-12,14H,5-6H2,1-4H3/t10-,11+/m0/s1
InChIKeyODJKFICHRVPSGA-WDEREUQCSA-N
MW214.31 g/mol
LogP1.15
Rot. Bonds5

About (1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol

(1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (PubChem CID 10081975) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
PubChem CID10081975
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol
SMILESCC(C)NC[C@H](O)[C@H]1CC(C(C)C)=NO1
InChIInChI=1S/C11H22N2O2/c1-7(2)9-5-11(15-13-9)10(14)6-12-8(3)4/h7-8,10-12,14H,5-6H2,1-4H3/t10-,11+/m0/s1
InChIKeyODJKFICHRVPSGA-WDEREUQCSA-N
XLogP1.15
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 (1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The IUPAC name of (1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol (CID 10081975) is (1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol.
What is the SMILES notation for (1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The canonical SMILES for (1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is CC(C)NC[C@H](O)[C@H]1CC(C(C)C)=NO1.
What is the InChIKey of (1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
The InChIKey is ODJKFICHRVPSGA-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(2)9-5-11(15-13-9)10(14)6-12-8(3)4/h7-8,10-12,14H,5-6H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of (1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol?
(1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol has a molecular weight of 214.31 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(propan-2-ylamino)-1-[(5R)-3-propan-2-yl-4,5-dihydro-1,2-oxazol-5-yl]ethanol is sourced from PubChem (CID 10081975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).