(1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol

C12H18N4O2 — CID 99624009

IUPAC(1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol
SMILESC[C@H](O)c1ccn(Cc2nc(C(C)(C)C)no2)n1
InChIInChI=1S/C12H18N4O2/c1-8(17)9-5-6-16(14-9)7-10-13-11(15-18-10)12(2,3)4/h5-6,8,17H,7H2,1-4H3/t8-/m0/s1
InChIKeyJGFJZQOKEHLYHO-QMMMGPOBSA-N
MW250.30 g/mol
LogP1.67
Rot. Bonds3

About (1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol

(1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol (PubChem CID 99624009) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol
PubChem CID99624009
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol
SMILESC[C@H](O)c1ccn(Cc2nc(C(C)(C)C)no2)n1
InChIInChI=1S/C12H18N4O2/c1-8(17)9-5-6-16(14-9)7-10-13-11(15-18-10)12(2,3)4/h5-6,8,17H,7H2,1-4H3/t8-/m0/s1
InChIKeyJGFJZQOKEHLYHO-QMMMGPOBSA-N
XLogP1.67
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol?
The IUPAC name of (1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol (CID 99624009) is (1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol is C[C@H](O)c1ccn(Cc2nc(C(C)(C)C)no2)n1.
What is the InChIKey of (1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol?
The InChIKey is JGFJZQOKEHLYHO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(17)9-5-6-16(14-9)7-10-13-11(15-18-10)12(2,3)4/h5-6,8,17H,7H2,1-4H3/t8-/m0/s1.
What are the key properties of (1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol?
(1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol has a molecular weight of 250.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol is sourced from PubChem (CID 99624009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).