3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen

C12H22N4O — CID 143894519

IUPAC3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen
SMILESCC.Cc1nc(-c2cc(C(C)(C)C)no2)n[nH]1.[H][H]
InChIInChI=1S/C10H14N4O.C2H6.H2/c1-6-11-9(13-12-6)7-5-8(14-15-7)10(2,3)4;1-2;/h5H,1-4H3,(H,11,12,13);1-2H3;1H
InChIKeyFGXPQXHEOQMVGD-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.34
Rot. Bonds1

About 3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen

3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen (PubChem CID 143894519) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen.

Molecular Properties

Compound Name3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen
PubChem CID143894519
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen
SMILESCC.Cc1nc(-c2cc(C(C)(C)C)no2)n[nH]1.[H][H]
InChIInChI=1S/C10H14N4O.C2H6.H2/c1-6-11-9(13-12-6)7-5-8(14-15-7)10(2,3)4;1-2;/h5H,1-4H3,(H,11,12,13);1-2H3;1H
InChIKeyFGXPQXHEOQMVGD-UHFFFAOYSA-N
XLogP3.34
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-{1-[(3-cyclohexylisoxazol-5-yl)methyl]pyrrolidin-2-yl}-3-methyl-1H-1,2,4-triazole
CID 91833130
3-tert-butyl-5-[5-[2-(oxan-4-ylmethylsulfonyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-1,2-oxazole
CID 44482536
5-Tert-butyl-3-(3-tert-butyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
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3-tert-butyl-5-(5-tert-butyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
CID 58057164
3,3-dimethyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]butan-2-one
CID 58201713
5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine
CID 58201730
5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-amine
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3-tert-butyl-5-[5-[1-(oxan-4-ylmethylsulfonyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-1,2-oxazole
CID 66966618
3-tert-butyl-5-[5-[2-(oxan-4-ylmethylsulfanyl)propan-2-yl]-1H-1,2,4-triazol-3-yl]-1,2-oxazole
CID 68047082
3-tert-butyl-5-[5-(1-iodoethyl)-1H-1,2,4-triazol-3-yl]-1,2-oxazole
CID 68047214
N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]acetamide
CID 68390188
2-methyl-N-[5-(3-methyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen?
The IUPAC name of 3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen (CID 143894519) is 3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen.
What is the SMILES notation for 3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen?
The canonical SMILES for 3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen is CC.Cc1nc(-c2cc(C(C)(C)C)no2)n[nH]1.[H][H].
What is the InChIKey of 3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen?
The InChIKey is FGXPQXHEOQMVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O.C2H6.H2/c1-6-11-9(13-12-6)7-5-8(14-15-7)10(2,3)4;1-2;/h5H,1-4H3,(H,11,12,13);1-2H3;1H.
What are the key properties of 3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen?
3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen has a molecular weight of 238.33 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,2-oxazole;ethane;molecular hydrogen is sourced from PubChem (CID 143894519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).