3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid

C12H15NO5 — CID 82376892

IUPAC3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
SMILESCCC(CC)C1Oc2coc(C(=O)O)c2NC1=O
InChIInChI=1S/C12H15NO5/c1-3-6(4-2)9-11(14)13-8-7(18-9)5-17-10(8)12(15)16/h5-6,9H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyRMTUCOPNWFFEOC-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.11
Rot. Bonds4

About 3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid

3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid (PubChem CID 82376892) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
PubChem CID82376892
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
SMILESCCC(CC)C1Oc2coc(C(=O)O)c2NC1=O
InChIInChI=1S/C12H15NO5/c1-3-6(4-2)9-11(14)13-8-7(18-9)5-17-10(8)12(15)16/h5-6,9H,3-4H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyRMTUCOPNWFFEOC-UHFFFAOYSA-N
XLogP2.11
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

2-methyl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82377148
2-(1-aminobutan-2-yl)-6-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990824
N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide
CID 123972436
2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid
CID 82275003
7-bromo-3-pentan-3-yl-1,3-dihydroindol-2-one
CID 106986727
2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82376415
(2S)-2-[(2S)-butan-2-yl]-3-oxo-1,2,4,6-tetrahydropyrrolo[3,4-b]pyrazine-5-carboxylic acid
CID 82375694
(2E,5S)-2-(2-oxo-4-phenylbutylidene)-5-propan-2-yl-1,3-oxazolidin-4-one
CID 155548250
7-hexan-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10,12-pentaene-4-carboxylic acid
CID 145264132
2-ethyl-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]butanamide
CID 110404629
(2E)-2-(2-oxoundecylidene)-5-propan-2-yl-1,3-oxazolidin-4-one
CID 134284799
spiro[2,4-dihydro-1H-furo[3,4-b]pyrazine-3,1'-cyclohexane]-5-carboxylic acid
CID 82377104

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid?
The IUPAC name of 3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid (CID 82376892) is 3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid.
What is the SMILES notation for 3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid?
The canonical SMILES for 3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid is CCC(CC)C1Oc2coc(C(=O)O)c2NC1=O.
What is the InChIKey of 3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid?
The InChIKey is RMTUCOPNWFFEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-3-6(4-2)9-11(14)13-8-7(18-9)5-17-10(8)12(15)16/h5-6,9H,3-4H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid?
3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-pentan-3-yl-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid is sourced from PubChem (CID 82376892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).