4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole

C10H15NO2 — CID 144912743

IUPAC4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCO/C(C)=C(/C)c1c(C)noc1C
InChIInChI=1S/C10H15NO2/c1-6(8(3)12-5)10-7(2)11-13-9(10)4/h1-5H3/b8-6-
InChIKeyPAFBQUKTFSNVIW-VURMDHGXSA-N
MW181.23 g/mol
LogP2.69
Rot. Bonds2

About 4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole

4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 144912743) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID144912743
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole
SMILESCO/C(C)=C(/C)c1c(C)noc1C
InChIInChI=1S/C10H15NO2/c1-6(8(3)12-5)10-7(2)11-13-9(10)4/h1-5H3/b8-6-
InChIKeyPAFBQUKTFSNVIW-VURMDHGXSA-N
XLogP2.69
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole (CID 144912743) is 4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole is CO/C(C)=C(/C)c1c(C)noc1C.
What is the InChIKey of 4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is PAFBQUKTFSNVIW-VURMDHGXSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(8(3)12-5)10-7(2)11-13-9(10)4/h1-5H3/b8-6-.
What are the key properties of 4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole?
4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 181.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-methoxybut-2-en-2-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 144912743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).