4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole

C11H16N2O2 — CID 142385957

IUPAC4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole
SMILESCc1cnoc1.Cc1ncoc1C(C)C
InChIInChI=1S/C7H11NO.C4H5NO/c1-5(2)7-6(3)8-4-9-7;1-4-2-5-6-3-4/h4-5H,1-3H3;2-3H,1H3
InChIKeyWOIGBVDLZXNZTA-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.09
Rot. Bonds1

About 4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole

4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole (PubChem CID 142385957) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole
PubChem CID142385957
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole
SMILESCc1cnoc1.Cc1ncoc1C(C)C
InChIInChI=1S/C7H11NO.C4H5NO/c1-5(2)7-6(3)8-4-9-7;1-4-2-5-6-3-4/h4-5H,1-3H3;2-3H,1H3
InChIKeyWOIGBVDLZXNZTA-UHFFFAOYSA-N
XLogP3.09
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole (CID 142385957) is 4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole is Cc1cnoc1.Cc1ncoc1C(C)C.
What is the InChIKey of 4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole?
The InChIKey is WOIGBVDLZXNZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C4H5NO/c1-5(2)7-6(3)8-4-9-7;1-4-2-5-6-3-4/h4-5H,1-3H3;2-3H,1H3.
What are the key properties of 4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole?
4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole has a molecular weight of 208.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 142385957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).