4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole

C12H17NO — CID 91514224

IUPAC4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1nc(C)c(C=CC(C)C)o1
InChIInChI=1S/C12H17NO/c1-8(2)6-7-11-10(5)13-12(14-11)9(3)4/h6-8H,3H2,1-2,4-5H3
InChIKeyJTEISEJINHXCMZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.69
Rot. Bonds3

About 4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole

4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole (PubChem CID 91514224) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole
PubChem CID91514224
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1nc(C)c(C=CC(C)C)o1
InChIInChI=1S/C12H17NO/c1-8(2)6-7-11-10(5)13-12(14-11)9(3)4/h6-8H,3H2,1-2,4-5H3
InChIKeyJTEISEJINHXCMZ-UHFFFAOYSA-N
XLogP3.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole?
The IUPAC name of 4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole (CID 91514224) is 4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole?
The canonical SMILES for 4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole is C=C(C)c1nc(C)c(C=CC(C)C)o1.
What is the InChIKey of 4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole?
The InChIKey is JTEISEJINHXCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)6-7-11-10(5)13-12(14-11)9(3)4/h6-8H,3H2,1-2,4-5H3.
What are the key properties of 4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole?
4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole has a molecular weight of 191.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylbut-1-enyl)-2-prop-1-en-2-yl-1,3-oxazole is sourced from PubChem (CID 91514224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).