5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole

C13H19N3O — CID 155091988

IUPAC5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole
SMILESCc1cnc(C(C)Cc2ccn(C(C)C)n2)o1
InChIInChI=1S/C13H19N3O/c1-9(2)16-6-5-12(15-16)7-10(3)13-14-8-11(4)17-13/h5-6,8-10H,7H2,1-4H3
InChIKeyYZGUUEVMDHGOGK-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.11
Rot. Bonds4

About 5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole

5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole (PubChem CID 155091988) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole
PubChem CID155091988
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole
SMILESCc1cnc(C(C)Cc2ccn(C(C)C)n2)o1
InChIInChI=1S/C13H19N3O/c1-9(2)16-6-5-12(15-16)7-10(3)13-14-8-11(4)17-13/h5-6,8-10H,7H2,1-4H3
InChIKeyYZGUUEVMDHGOGK-UHFFFAOYSA-N
XLogP3.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole (CID 155091988) is 5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole is Cc1cnc(C(C)Cc2ccn(C(C)C)n2)o1.
What is the InChIKey of 5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole?
The InChIKey is YZGUUEVMDHGOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)16-6-5-12(15-16)7-10(3)13-14-8-11(4)17-13/h5-6,8-10H,7H2,1-4H3.
What are the key properties of 5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole?
5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole has a molecular weight of 233.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]-1,3-oxazole is sourced from PubChem (CID 155091988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).