4-methyl-3-propan-2-yloxy-1,2-oxazole

C7H11NO2 — CID 21034008

IUPAC4-methyl-3-propan-2-yloxy-1,2-oxazole
SMILESCc1conc1OC(C)C
InChIInChI=1S/C7H11NO2/c1-5(2)10-7-6(3)4-9-8-7/h4-5H,1-3H3
InChIKeyBHZIBQVDKKIGJI-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.77
Rot. Bonds2

About 4-methyl-3-propan-2-yloxy-1,2-oxazole

4-methyl-3-propan-2-yloxy-1,2-oxazole (PubChem CID 21034008) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yloxy-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-3-propan-2-yloxy-1,2-oxazole
PubChem CID21034008
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-methyl-3-propan-2-yloxy-1,2-oxazole
SMILESCc1conc1OC(C)C
InChIInChI=1S/C7H11NO2/c1-5(2)10-7-6(3)4-9-8-7/h4-5H,1-3H3
InChIKeyBHZIBQVDKKIGJI-UHFFFAOYSA-N
XLogP1.77
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yloxy-1,2-oxazole?
The IUPAC name of 4-methyl-3-propan-2-yloxy-1,2-oxazole (CID 21034008) is 4-methyl-3-propan-2-yloxy-1,2-oxazole.
What is the SMILES notation for 4-methyl-3-propan-2-yloxy-1,2-oxazole?
The canonical SMILES for 4-methyl-3-propan-2-yloxy-1,2-oxazole is Cc1conc1OC(C)C.
What is the InChIKey of 4-methyl-3-propan-2-yloxy-1,2-oxazole?
The InChIKey is BHZIBQVDKKIGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(2)10-7-6(3)4-9-8-7/h4-5H,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yloxy-1,2-oxazole?
4-methyl-3-propan-2-yloxy-1,2-oxazole has a molecular weight of 141.17 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yloxy-1,2-oxazole is sourced from PubChem (CID 21034008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).