7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole

C11H12N2O2 — CID 23255838

IUPAC7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole
SMILESCC12OCCN1C(c1ccccc1)=NO2
InChIInChI=1S/C11H12N2O2/c1-11-13(7-8-14-11)10(12-15-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyIXTSGXVEHMIBHO-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.38
Rot. Bonds1

About 7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole

7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole (PubChem CID 23255838) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole.

Molecular Properties

Compound Name7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole
PubChem CID23255838
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole
SMILESCC12OCCN1C(c1ccccc1)=NO2
InChIInChI=1S/C11H12N2O2/c1-11-13(7-8-14-11)10(12-15-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyIXTSGXVEHMIBHO-UHFFFAOYSA-N
XLogP1.38
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[morpholin-4-yl(phenyl)methylidene]hydroxylamine
CID 555421
3,7a-Diphenyl-5,6-dihydro[1,3]oxazolo[3,2-d][1,2,4]oxadiazole
CID 139193598
1-[(1,3-Dioxolan-2-yl)methyl]-2-phenyl-4,5-dihydro1h-imidazole
CID 168433361
3-Phenyl-5,6,7,7a-tetrahydropyrrolo[1,2-d][1,2,4]oxadiazole
CID 176436778
Phenyl-morpholin-4-yl-methanone oxime
CID 9602023
7a-Ethoxy-3-phenyl-6,7-dihydropyrrolo[1,2-d][1,2,4]oxadiazol-5-one
CID 14938803
Uuzporkumlleoa-uhfffaoysa-
CID 21727512
(NE)-N-[morpholin-4-yl(phenyl)methylidene]hydroxylamine
CID 5367054
(Z)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine
CID 23533211
(E)-N-ethoxy-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine
CID 90992708
(4-Methylphenyl)-(1,3-oxazolidin-3-yl)methanimine;2-methylpropane
CID 141997106
4,5-dimethyl-3-phenyl-5H-1,2,4-oxadiazole;ethane
CID 143792426

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole?
The IUPAC name of 7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole (CID 23255838) is 7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole.
What is the SMILES notation for 7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole?
The canonical SMILES for 7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole is CC12OCCN1C(c1ccccc1)=NO2.
What is the InChIKey of 7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole?
The InChIKey is IXTSGXVEHMIBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-11-13(7-8-14-11)10(12-15-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole?
7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole has a molecular weight of 204.23 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-3-phenyl-5,6-dihydro-[1,3]oxazolo[3,2-d][1,2,4]oxadiazole is sourced from PubChem (CID 23255838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).