(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol

C6H10N2O2 — CID 25219499

IUPAC(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
SMILESCC(C)c1noc(CO)n1
InChIInChI=1S/C6H10N2O2/c1-4(2)6-7-5(3-9)10-8-6/h4,9H,3H2,1-2H3
InChIKeyPQDUJWGQTSTVOA-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.69
Rot. Bonds2

About (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol (PubChem CID 25219499) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
PubChem CID25219499
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
SMILESCC(C)c1noc(CO)n1
InChIInChI=1S/C6H10N2O2/c1-4(2)6-7-5(3-9)10-8-6/h4,9H,3H2,1-2H3
InChIKeyPQDUJWGQTSTVOA-UHFFFAOYSA-N
XLogP0.69
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220842
2-methyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol
CID 66103555
3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propan-1-ol
CID 66114960
[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanol
CID 113371993
5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 129255475
5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol
CID 107204044
ethyl 2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79004032
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61312303
[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]methanol
CID 116732822
(3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol
CID 63758125
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 60720301
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol (CID 25219499) is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol.
What is the SMILES notation for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol?
The canonical SMILES for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol is CC(C)c1noc(CO)n1.
What is the InChIKey of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is PQDUJWGQTSTVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4(2)6-7-5(3-9)10-8-6/h4,9H,3H2,1-2H3.
What are the key properties of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol?
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol has a molecular weight of 142.16 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol is sourced from PubChem (CID 25219499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).