2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole

C8H11NO — CID 123267966

IUPAC2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1nc(C)oc1C
InChIInChI=1S/C8H11NO/c1-5(2)8-6(3)10-7(4)9-8/h1H2,2-4H3
InChIKeyVMLXOPHSKMRQGY-UHFFFAOYSA-N
MW137.18 g/mol
LogP2.32
Rot. Bonds1

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

2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole (PubChem CID 123267966) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole
PubChem CID123267966
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole
SMILESC=C(C)c1nc(C)oc1C
InChIInChI=1S/C8H11NO/c1-5(2)8-6(3)10-7(4)9-8/h1H2,2-4H3
InChIKeyVMLXOPHSKMRQGY-UHFFFAOYSA-N
XLogP2.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethyl-2,5-dimethyloxazole
CID 121694
4-Ethyl-5-methyl-2-(1-methylethyl)oxazole
CID 586689
4,5-Diethyl-2-methyloxazole
CID 57112222
4-Ethyl-5-methyl-2-propyloxazole
CID 580375
2,4,5-Triethyloxazole
CID 3016238
4-Ethyl-2-isobutyl-5-methyloxazole
CID 580607
2,4-Diethyl-5-methyloxazole
CID 579998
2,5-Dimethyl-4-prop-2-enyl-1,3-oxazole
CID 15176130
4-Ethenyl-2,5-dimethyl-1,3-oxazole
CID 15176132
4-Ethyl-5-(fluoromethyl)-2-methyl-1,3-oxazole
CID 118086013
4-[3-(Difluoromethyl)-2,3-dihydroquinolin-7-yl]-5-methyl-2-(5-methylhepta-3,5-dien-2-yl)-1,3-oxazole
CID 123367918
5-Fluoro-2-methyl-6,7-dihydro-1,3-benzoxazole
CID 142292439

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole?
The IUPAC name of 2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole (CID 123267966) is 2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole.
What is the SMILES notation for 2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole?
The canonical SMILES for 2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole is C=C(C)c1nc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole?
The InChIKey is VMLXOPHSKMRQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-5(2)8-6(3)10-7(4)9-8/h1H2,2-4H3.
What are the key properties of 2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole?
2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole has a molecular weight of 137.18 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-prop-1-en-2-yl-1,3-oxazole is sourced from PubChem (CID 123267966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).