5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole

C14H18N2O — CID 155900955

IUPAC5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
SMILESCCN1CC2ON=C(c3ccccc3C)C2C1
InChIInChI=1S/C14H18N2O/c1-3-16-8-12-13(9-16)17-15-14(12)11-7-5-4-6-10(11)2/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyHRQWWHDBVXPGSS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.05
Rot. Bonds2

About 5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole

5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole (PubChem CID 155900955) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole.

Molecular Properties

Compound Name5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
PubChem CID155900955
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole
SMILESCCN1CC2ON=C(c3ccccc3C)C2C1
InChIInChI=1S/C14H18N2O/c1-3-16-8-12-13(9-16)17-15-14(12)11-7-5-4-6-10(11)2/h4-7,12-13H,3,8-9H2,1-2H3
InChIKeyHRQWWHDBVXPGSS-UHFFFAOYSA-N
XLogP2.05
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole?
The IUPAC name of 5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole (CID 155900955) is 5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole.
What is the SMILES notation for 5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole?
The canonical SMILES for 5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole is CCN1CC2ON=C(c3ccccc3C)C2C1.
What is the InChIKey of 5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole?
The InChIKey is HRQWWHDBVXPGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-16-8-12-13(9-16)17-15-14(12)11-7-5-4-6-10(11)2/h4-7,12-13H,3,8-9H2,1-2H3.
What are the key properties of 5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole?
5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole has a molecular weight of 230.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-methylphenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole is sourced from PubChem (CID 155900955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).