4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole

C10H12N2O2 — CID 155409140

IUPAC4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole
SMILESCC(c1cocn1)C(C)c1ccno1
InChIInChI=1S/C10H12N2O2/c1-7(9-5-13-6-11-9)8(2)10-3-4-12-14-10/h3-8H,1-2H3
InChIKeyGGLNGMWSAYANGP-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.57
Rot. Bonds3

About 4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole

4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole (PubChem CID 155409140) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole
PubChem CID155409140
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole
SMILESCC(c1cocn1)C(C)c1ccno1
InChIInChI=1S/C10H12N2O2/c1-7(9-5-13-6-11-9)8(2)10-3-4-12-14-10/h3-8H,1-2H3
InChIKeyGGLNGMWSAYANGP-UHFFFAOYSA-N
XLogP2.57
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole?
The IUPAC name of 4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole (CID 155409140) is 4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole.
What is the SMILES notation for 4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole?
The canonical SMILES for 4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole is CC(c1cocn1)C(C)c1ccno1.
What is the InChIKey of 4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole?
The InChIKey is GGLNGMWSAYANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7(9-5-13-6-11-9)8(2)10-3-4-12-14-10/h3-8H,1-2H3.
What are the key properties of 4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole?
4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole has a molecular weight of 192.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,2-oxazol-5-yl)butan-2-yl]-1,3-oxazole is sourced from PubChem (CID 155409140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).