ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate

C9H15NO3 — CID 59618647

IUPACethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(C(C)C)C1
InChIInChI=1S/C9H15NO3/c1-4-12-9(11)7-5-8(6(2)3)13-10-7/h6,8H,4-5H2,1-3H3
InChIKeyBELAYYSFOPJXLK-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.35
Rot. Bonds3

About ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate

ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 59618647) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID59618647
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NOC(C(C)C)C1
InChIInChI=1S/C9H15NO3/c1-4-12-9(11)7-5-8(6(2)3)13-10-7/h6,8H,4-5H2,1-3H3
InChIKeyBELAYYSFOPJXLK-UHFFFAOYSA-N
XLogP1.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate (CID 59618647) is ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=NOC(C(C)C)C1.
What is the InChIKey of ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is BELAYYSFOPJXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-12-9(11)7-5-8(6(2)3)13-10-7/h6,8H,4-5H2,1-3H3.
What are the key properties of ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-propan-2-yl-4,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 59618647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).