methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole

C11H17NO — CID 144716880

IUPACmethane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole
SMILESC.C=C(C)c1onc(C)c1/C=C\C
InChIInChI=1S/C10H13NO.CH4/c1-5-6-9-8(4)11-12-10(9)7(2)3;/h5-6H,2H2,1,3-4H3;1H4/b6-5-;
InChIKeyRJZQULSPWAYLDO-YSMBQZINSA-N
MW179.26 g/mol
LogP3.69
Rot. Bonds2

About methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole

methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole (PubChem CID 144716880) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole.

Molecular Properties

Compound Namemethane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole
PubChem CID144716880
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Namemethane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole
SMILESC.C=C(C)c1onc(C)c1/C=C\C
InChIInChI=1S/C10H13NO.CH4/c1-5-6-9-8(4)11-12-10(9)7(2)3;/h5-6H,2H2,1,3-4H3;1H4/b6-5-;
InChIKeyRJZQULSPWAYLDO-YSMBQZINSA-N
XLogP3.69
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole?
The IUPAC name of methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole (CID 144716880) is methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole.
What is the SMILES notation for methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole?
The canonical SMILES for methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole is C.C=C(C)c1onc(C)c1/C=C\C.
What is the InChIKey of methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole?
The InChIKey is RJZQULSPWAYLDO-YSMBQZINSA-N. The full InChI is InChI=1S/C10H13NO.CH4/c1-5-6-9-8(4)11-12-10(9)7(2)3;/h5-6H,2H2,1,3-4H3;1H4/b6-5-;.
What are the key properties of methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole?
methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole has a molecular weight of 179.26 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-1,2-oxazole is sourced from PubChem (CID 144716880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).