(4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole

C12H17NO — CID 137427739

IUPAC(4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole
SMILESC=C/C=c1/nc(C)o/c1=C/CC(C)C
InChIInChI=1S/C12H17NO/c1-5-6-11-12(8-7-9(2)3)14-10(4)13-11/h5-6,8-9H,1,7H2,2-4H3/b11-6+,12-8+
InChIKeyLNGMLWMUSUYCTI-DECBNBDHSA-N
MW191.27 g/mol
LogP1.78
Rot. Bonds3

About (4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole

(4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole (PubChem CID 137427739) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole.

Molecular Properties

Compound Name(4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole
PubChem CID137427739
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole
SMILESC=C/C=c1/nc(C)o/c1=C/CC(C)C
InChIInChI=1S/C12H17NO/c1-5-6-11-12(8-7-9(2)3)14-10(4)13-11/h5-6,8-9H,1,7H2,2-4H3/b11-6+,12-8+
InChIKeyLNGMLWMUSUYCTI-DECBNBDHSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole?
The IUPAC name of (4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole (CID 137427739) is (4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole.
What is the SMILES notation for (4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole?
The canonical SMILES for (4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole is C=C/C=c1/nc(C)o/c1=C/CC(C)C.
What is the InChIKey of (4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole?
The InChIKey is LNGMLWMUSUYCTI-DECBNBDHSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-6-11-12(8-7-9(2)3)14-10(4)13-11/h5-6,8-9H,1,7H2,2-4H3/b11-6+,12-8+.
What are the key properties of (4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole?
(4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole has a molecular weight of 191.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2-methyl-5-(3-methylbutylidene)-4-prop-2-enylidene-1,3-oxazole is sourced from PubChem (CID 137427739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).