3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole

C14H19F2N3O — CID 126759746

IUPAC3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(CCC(C)c2cnn(C(F)F)c2)no1
InChIInChI=1S/C14H19F2N3O/c1-9(2)13-6-12(18-20-13)5-4-10(3)11-7-17-19(8-11)14(15)16/h6-10,14H,4-5H2,1-3H3
InChIKeySXUWWFROYUXRLS-UHFFFAOYSA-N
MW283.32 g/mol
LogP4.13
Rot. Bonds6

About 3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole

3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole (PubChem CID 126759746) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole
PubChem CID126759746
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(CCC(C)c2cnn(C(F)F)c2)no1
InChIInChI=1S/C14H19F2N3O/c1-9(2)13-6-12(18-20-13)5-4-10(3)11-7-17-19(8-11)14(15)16/h6-10,14H,4-5H2,1-3H3
InChIKeySXUWWFROYUXRLS-UHFFFAOYSA-N
XLogP4.13
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole (CID 126759746) is 3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole is CC(C)c1cc(CCC(C)c2cnn(C(F)F)c2)no1.
What is the InChIKey of 3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole?
The InChIKey is SXUWWFROYUXRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-9(2)13-6-12(18-20-13)5-4-10(3)11-7-17-19(8-11)14(15)16/h6-10,14H,4-5H2,1-3H3.
What are the key properties of 3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole?
3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole has a molecular weight of 283.32 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(difluoromethyl)pyrazol-4-yl]butyl]-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 126759746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).