[3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate

C12H15NO4 — CID 53323579

IUPAC[3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CC(c2ccoc2)=NO1
InChIInChI=1S/C12H15NO4/c1-12(2,3)11(14)16-10-6-9(13-17-10)8-4-5-15-7-8/h4-5,7,10H,6H2,1-3H3
InChIKeyMEIQEUMAGXPIMG-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.32
Rot. Bonds2

About [3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate

[3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate (PubChem CID 53323579) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate
PubChem CID53323579
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1CC(c2ccoc2)=NO1
InChIInChI=1S/C12H15NO4/c1-12(2,3)11(14)16-10-6-9(13-17-10)8-4-5-15-7-8/h4-5,7,10H,6H2,1-3H3
InChIKeyMEIQEUMAGXPIMG-UHFFFAOYSA-N
XLogP2.32
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 53323581
Ethyl 2-(furan-3-yl)-2-hydroxyiminoacetate
CID 178250798
3-(furan-3-yl)-4H-1,2-oxazol-5-one
CID 54232798
(4Z)-4-(furan-2-ylmethylidene)-3-(4-methoxycyclohexa-2,4-dien-1-yl)-1,2-oxazol-5-one
CID 59881555
4-(Furan-2-ylmethylidene)-3-(4-methoxycyclohexa-2,4-dien-1-yl)-1,2-oxazol-5-one
CID 72586620
Ethyl 5-(furan-3-ylmethyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 134390204
tert-butyl (5S)-3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylate
CID 142735991
(2E)-3-(furan-3-yl)-2-hydroxyiminopropanoic acid
CID 11435173
(2Z)-3-(furan-3-yl)-2-hydroxyiminopropanoic acid
CID 12144101
(3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid
CID 55250667
3-(Furan-3-yl)-2-hydroxyiminopropanoic acid
CID 72960741
(Z)-1-(furan-3-yl)-N-methoxyethanimine
CID 133667494

Frequently Asked Questions

What is the IUPAC name of [3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate (CID 53323579) is [3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1CC(c2ccoc2)=NO1.
What is the InChIKey of [3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate?
The InChIKey is MEIQEUMAGXPIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-12(2,3)11(14)16-10-6-9(13-17-10)8-4-5-15-7-8/h4-5,7,10H,6H2,1-3H3.
What are the key properties of [3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate?
[3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate has a molecular weight of 237.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-3-yl)-4,5-dihydro-1,2-oxazol-5-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 53323579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).