2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C10H15N3O — CID 90255857

IUPAC2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(c2cnn(C)c2)=N1
InChIInChI=1S/C10H15N3O/c1-7(2)9-6-14-10(12-9)8-4-11-13(3)5-8/h4-5,7,9H,6H2,1-3H3
InChIKeyRSBDTZVSQNIPRM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.22
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 90255857) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID90255857
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)C1COC(c2cnn(C)c2)=N1
InChIInChI=1S/C10H15N3O/c1-7(2)9-6-14-10(12-9)8-4-11-13(3)5-8/h4-5,7,9H,6H2,1-3H3
InChIKeyRSBDTZVSQNIPRM-UHFFFAOYSA-N
XLogP1.22
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 90255857) is 2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)C1COC(c2cnn(C)c2)=N1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is RSBDTZVSQNIPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)9-6-14-10(12-9)8-4-11-13(3)5-8/h4-5,7,9H,6H2,1-3H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 193.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 90255857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).