(4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone

C13H15NO4 — CID 19866797

IUPAC(4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone
SMILESCOc1ccc(C(=O)C23COCN2COC3)cc1
InChIInChI=1S/C13H15NO4/c1-16-11-4-2-10(3-5-11)12(15)13-6-17-8-14(13)9-18-7-13/h2-5H,6-9H2,1H3
InChIKeyHGFBKLMLJCALLK-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.89
Rot. Bonds3

About (4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone

(4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone (PubChem CID 19866797) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone
PubChem CID19866797
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone
SMILESCOc1ccc(C(=O)C23COCN2COC3)cc1
InChIInChI=1S/C13H15NO4/c1-16-11-4-2-10(3-5-11)12(15)13-6-17-8-14(13)9-18-7-13/h2-5H,6-9H2,1H3
InChIKeyHGFBKLMLJCALLK-UHFFFAOYSA-N
XLogP0.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone with MolForge

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Related Compounds

(4-methoxyphenyl)-(3-morpholin-4-yloxan-3-yl)methanone
CID 19866792
(4-methoxyphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057208
(1R,5S)-1-(4-methoxybenzoyl)-5-methyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 102423103
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-methoxybenzoic acid;silver
CID 140722019
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
(4-methoxybenzoyl)-λ2-stannane
CID 174742034
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[(3aS,6aR)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(4-methoxyphenyl)methanone
CID 97420854
1-(4-methoxybenzoyl)cyclobutane-1-carbonitrile
CID 116921475

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone (CID 19866797) is (4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone is COc1ccc(C(=O)C23COCN2COC3)cc1.
What is the InChIKey of (4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone?
The InChIKey is HGFBKLMLJCALLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-16-11-4-2-10(3-5-11)12(15)13-6-17-8-14(13)9-18-7-13/h2-5H,6-9H2,1H3.
What are the key properties of (4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone?
(4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone has a molecular weight of 249.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanone is sourced from PubChem (CID 19866797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).