3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C21H21N3O3 — CID 20856779

IUPAC3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc2ccccc2c1C1N(c2cc(C)on2)C(=O)C2CCCN21
InChIInChI=1S/C21H21N3O3/c1-13-12-18(22-27-13)24-20(23-11-5-8-16(23)21(24)25)19-15-7-4-3-6-14(15)9-10-17(19)26-2/h3-4,6-7,9-10,12,16,20H,5,8,11H2,1-2H3
InChIKeyQTZODYOHBNTHOI-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.65
Rot. Bonds3

About 3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 20856779) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID20856779
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc2ccccc2c1C1N(c2cc(C)on2)C(=O)C2CCCN21
InChIInChI=1S/C21H21N3O3/c1-13-12-18(22-27-13)24-20(23-11-5-8-16(23)21(24)25)19-15-7-4-3-6-14(15)9-10-17(19)26-2/h3-4,6-7,9-10,12,16,20H,5,8,11H2,1-2H3
InChIKeyQTZODYOHBNTHOI-UHFFFAOYSA-N
XLogP3.65
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 20856779) is 3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is COc1ccc2ccccc2c1C1N(c2cc(C)on2)C(=O)C2CCCN21.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is QTZODYOHBNTHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-12-18(22-27-13)24-20(23-11-5-8-16(23)21(24)25)19-15-7-4-3-6-14(15)9-10-17(19)26-2/h3-4,6-7,9-10,12,16,20H,5,8,11H2,1-2H3.
What are the key properties of 3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 363.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 20856779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).