[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol

C7H12N2O3 — CID 103020801

IUPAC[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCOC(C)(C)c1nc(CO)no1
InChIInChI=1S/C7H12N2O3/c1-7(2,11-3)6-8-5(4-10)9-12-6/h10H,4H2,1-3H3
InChIKeyYXCYTBUWUHWYMM-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.44
Rot. Bonds3

About [5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol

[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 103020801) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is [5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID103020801
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCOC(C)(C)c1nc(CO)no1
InChIInChI=1S/C7H12N2O3/c1-7(2,11-3)6-8-5(4-10)9-12-6/h10H,4H2,1-3H3
InChIKeyYXCYTBUWUHWYMM-UHFFFAOYSA-N
XLogP0.44
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 103022247
3-[(4-fluorophenoxy)methyl]-5-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 86819079
1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 103022224
1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 103022287
methyl 5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]pentanoate
CID 166977426
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine
CID 123866100
tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 70853467
5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole
CID 176864350
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 151668705
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]ethanol
CID 43502552
2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid
CID 68754902
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 63891484

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol (CID 103020801) is [5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol is COC(C)(C)c1nc(CO)no1.
What is the InChIKey of [5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is YXCYTBUWUHWYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-7(2,11-3)6-8-5(4-10)9-12-6/h10H,4H2,1-3H3.
What are the key properties of [5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 172.18 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 103020801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).