methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

C11H19NO3 — CID 11715466

IUPACmethyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCC(CC)CC1=NOC(C(=O)OC)C1
InChIInChI=1S/C11H19NO3/c1-4-8(5-2)6-9-7-10(15-12-9)11(13)14-3/h8,10H,4-7H2,1-3H3
InChIKeyRGAPEYHVABYTAM-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.13
Rot. Bonds5

About methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (PubChem CID 11715466) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
PubChem CID11715466
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
SMILESCCC(CC)CC1=NOC(C(=O)OC)C1
InChIInChI=1S/C11H19NO3/c1-4-8(5-2)6-9-7-10(15-12-9)11(13)14-3/h8,10H,4-7H2,1-3H3
InChIKeyRGAPEYHVABYTAM-UHFFFAOYSA-N
XLogP2.13
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The IUPAC name of methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate (CID 11715466) is methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate.
What is the SMILES notation for methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The canonical SMILES for methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is CCC(CC)CC1=NOC(C(=O)OC)C1.
What is the InChIKey of methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
The InChIKey is RGAPEYHVABYTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-8(5-2)6-9-7-10(15-12-9)11(13)14-3/h8,10H,4-7H2,1-3H3.
What are the key properties of methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate?
methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethylbutyl)-4,5-dihydro-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 11715466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).