2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol

C12H21N3O2 — CID 97084016

IUPAC2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)[C@H](C)c1nc(C2CC2)no1
InChIInChI=1S/C12H21N3O2/c1-8(2)15(6-7-16)9(3)12-13-11(14-17-12)10-4-5-10/h8-10,16H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyPLJHLSMZAOQGQR-SECBINFHSA-N
MW239.32 g/mol
LogP1.71
Rot. Bonds6

About 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol

2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol (PubChem CID 97084016) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol
PubChem CID97084016
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)[C@H](C)c1nc(C2CC2)no1
InChIInChI=1S/C12H21N3O2/c1-8(2)15(6-7-16)9(3)12-13-11(14-17-12)10-4-5-10/h8-10,16H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyPLJHLSMZAOQGQR-SECBINFHSA-N
XLogP1.71
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol with MolForge

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Related Compounds

2-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]ethanol
CID 95344493
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
(2R)-1-[4-[[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95341243
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol
CID 111463884
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 87013360
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(2-hydroxyethyl)amino]propan-1-ol
CID 71860365
3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole
CID 130649646
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 97312274
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine
CID 60509136
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol (CID 97084016) is 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol is CC(C)N(CCO)[C@H](C)c1nc(C2CC2)no1.
What is the InChIKey of 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol?
The InChIKey is PLJHLSMZAOQGQR-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)15(6-7-16)9(3)12-13-11(14-17-12)10-4-5-10/h8-10,16H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol?
2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol has a molecular weight of 239.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 97084016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).