methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate

C13H19NO3 — CID 22933308

IUPACmethyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(/C=C/CC(C)C)oc1C
InChIInChI=1S/C13H19NO3/c1-9(2)6-5-7-12-14-11(10(3)17-12)8-13(15)16-4/h5,7,9H,6,8H2,1-4H3/b7-5+
InChIKeyHPGVSTFKFRPILW-FNORWQNLSA-N
MW237.30 g/mol
LogP2.76
Rot. Bonds5

About methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate

methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate (PubChem CID 22933308) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate
PubChem CID22933308
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(/C=C/CC(C)C)oc1C
InChIInChI=1S/C13H19NO3/c1-9(2)6-5-7-12-14-11(10(3)17-12)8-13(15)16-4/h5,7,9H,6,8H2,1-4H3/b7-5+
InChIKeyHPGVSTFKFRPILW-FNORWQNLSA-N
XLogP2.76
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate (CID 22933308) is methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate is COC(=O)Cc1nc(/C=C/CC(C)C)oc1C.
What is the InChIKey of methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate?
The InChIKey is HPGVSTFKFRPILW-FNORWQNLSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)6-5-7-12-14-11(10(3)17-12)8-13(15)16-4/h5,7,9H,6,8H2,1-4H3/b7-5+.
What are the key properties of methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate?
methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate has a molecular weight of 237.30 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-2-[(E)-4-methylpent-1-enyl]-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 22933308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).