5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole

C10H14N4O2 — CID 116794038

IUPAC5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(COc2cnn(C)c2)n1
InChIInChI=1S/C10H14N4O2/c1-7(2)10-12-9(16-13-10)6-15-8-4-11-14(3)5-8/h4-5,7H,6H2,1-3H3
InChIKeyHEGRABZVJMEWRS-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.51
Rot. Bonds4

About 5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 116794038) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID116794038
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(COc2cnn(C)c2)n1
InChIInChI=1S/C10H14N4O2/c1-7(2)10-12-9(16-13-10)6-15-8-4-11-14(3)5-8/h4-5,7H,6H2,1-3H3
InChIKeyHEGRABZVJMEWRS-UHFFFAOYSA-N
XLogP1.51
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495251
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 30029227
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116794198
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 30591348
5-[(4-pentylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 112811277
5-methyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-1,2,4-oxadiazole
CID 47025975
4-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-ol
CID 61495340
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266
ethyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60721315
3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole
CID 75372440
[3,5-dimethyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 61495368

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 116794038) is 5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(COc2cnn(C)c2)n1.
What is the InChIKey of 5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is HEGRABZVJMEWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7(2)10-12-9(16-13-10)6-15-8-4-11-14(3)5-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 222.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpyrazol-4-yl)oxymethyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 116794038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).