5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole

C9H11NO — CID 143414538

IUPAC5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole
SMILESC=Cc1oc(C)nc1C(=C)C
InChIInChI=1S/C9H11NO/c1-5-8-9(6(2)3)10-7(4)11-8/h5H,1-2H2,3-4H3
InChIKeyPCBKEQVYYQPAGC-UHFFFAOYSA-N
MW149.19 g/mol
LogP2.66
Rot. Bonds2

About 5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole

5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole (PubChem CID 143414538) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole
PubChem CID143414538
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole
SMILESC=Cc1oc(C)nc1C(=C)C
InChIInChI=1S/C9H11NO/c1-5-8-9(6(2)3)10-7(4)11-8/h5H,1-2H2,3-4H3
InChIKeyPCBKEQVYYQPAGC-UHFFFAOYSA-N
XLogP2.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole?
The IUPAC name of 5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole (CID 143414538) is 5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole.
What is the SMILES notation for 5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole?
The canonical SMILES for 5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole is C=Cc1oc(C)nc1C(=C)C.
What is the InChIKey of 5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole?
The InChIKey is PCBKEQVYYQPAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-5-8-9(6(2)3)10-7(4)11-8/h5H,1-2H2,3-4H3.
What are the key properties of 5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole?
5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole has a molecular weight of 149.19 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole is sourced from PubChem (CID 143414538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).