1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol

C8H15N3O2 — CID 130621708

IUPAC1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(C(C)C)no1
InChIInChI=1S/C8H15N3O2/c1-5(2)7-10-8(13-11-7)9-4-6(3)12/h5-6,12H,4H2,1-3H3,(H,9,10,11)
InChIKeyFXSPBNIEVQAQPH-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.99
Rot. Bonds4

About 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol

1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol (PubChem CID 130621708) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
PubChem CID130621708
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc(C(C)C)no1
InChIInChI=1S/C8H15N3O2/c1-5(2)7-10-8(13-11-7)9-4-6(3)12/h5-6,12H,4H2,1-3H3,(H,9,10,11)
InChIKeyFXSPBNIEVQAQPH-UHFFFAOYSA-N
XLogP0.99
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 133351555
N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827200
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 121222906
2-[1-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]methyl]cyclopropyl]ethanol
CID 133496790
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-N-propylacetamide
CID 133383063
1-(2,5-dihydropyrrol-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
CID 166271466
N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479856
(2R,3S)-2-methylsulfanyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
CID 97085786
(2S)-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanoic acid
CID 122049666
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
1-(4-benzylpiperidin-1-yl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanone
CID 133342561

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol (CID 130621708) is 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol is CC(O)CNc1nc(C(C)C)no1.
What is the InChIKey of 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol?
The InChIKey is FXSPBNIEVQAQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-5(2)7-10-8(13-11-7)9-4-6(3)12/h5-6,12H,4H2,1-3H3,(H,9,10,11).
What are the key properties of 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol?
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol has a molecular weight of 185.23 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 130621708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).