2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol

C9H15N3O2 — CID 104633437

IUPAC2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(c1nc(C(N)CO)no1)C1CC1
InChIInChI=1S/C9H15N3O2/c1-5(6-2-3-6)9-11-8(12-14-9)7(10)4-13/h5-7,13H,2-4,10H2,1H3
InChIKeyGZIZLVDAUYUGEQ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.58
Rot. Bonds4

About 2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol

2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633437) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633437
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(c1nc(C(N)CO)no1)C1CC1
InChIInChI=1S/C9H15N3O2/c1-5(6-2-3-6)9-11-8(12-14-9)7(10)4-13/h5-7,13H,2-4,10H2,1H3
InChIKeyGZIZLVDAUYUGEQ-UHFFFAOYSA-N
XLogP0.58
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-chloropropyl)-5-(1-cyclopropylethyl)-1,2,4-oxadiazole
CID 103095417
5-[(1R)-1-cyclopropylethyl]-3-methyl-1,2,4-oxadiazole
CID 89185724
2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633189
2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633268
2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633382
(1S)-1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901845
2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 130605155
cyclopentyl-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 62070741
2-amino-2-[5-(thian-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633479
(2R)-2-amino-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915934
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
2-amino-2-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633421

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633437) is 2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol is CC(c1nc(C(N)CO)no1)C1CC1.
What is the InChIKey of 2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is GZIZLVDAUYUGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(6-2-3-6)9-11-8(12-14-9)7(10)4-13/h5-7,13H,2-4,10H2,1H3.
What are the key properties of 2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 197.24 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).