(2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol

C12H23N3O2 — CID 86786943

IUPAC(2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol
SMILESCCCc1noc(CN[C@H](CO)C(C)(C)C)n1
InChIInChI=1S/C12H23N3O2/c1-5-6-10-14-11(17-15-10)7-13-9(8-16)12(2,3)4/h9,13,16H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyLLLHPMGRBYWCAI-SECBINFHSA-N
MW241.33 g/mol
LogP1.52
Rot. Bonds6

About (2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol

(2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol (PubChem CID 86786943) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol
PubChem CID86786943
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol
SMILESCCCc1noc(CN[C@H](CO)C(C)(C)C)n1
InChIInChI=1S/C12H23N3O2/c1-5-6-10-14-11(17-15-10)7-13-9(8-16)12(2,3)4/h9,13,16H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyLLLHPMGRBYWCAI-SECBINFHSA-N
XLogP1.52
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol with MolForge

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Related Compounds

N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 62696005
(2R)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 97184939
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60835612
(1S)-1-(4-chlorophenyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 95279758
2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
CID 115640885
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60722113
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 65427563
N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63891054
N-ethyl-3,3-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55201851
(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93258995
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,2-dimethyl-1-thiophen-2-ylpropan-1-amine
CID 87022264

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol?
The IUPAC name of (2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol (CID 86786943) is (2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol is CCCc1noc(CN[C@H](CO)C(C)(C)C)n1.
What is the InChIKey of (2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol?
The InChIKey is LLLHPMGRBYWCAI-SECBINFHSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-6-10-14-11(17-15-10)7-13-9(8-16)12(2,3)4/h9,13,16H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol?
(2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]butan-1-ol is sourced from PubChem (CID 86786943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).