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

C18H21N3O4 — CID 3238192

IUPAC3-(2,5-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc(OC)c(C2N(c3cc(C)on3)C(=O)C3CCCN32)c1
InChIInChI=1S/C18H21N3O4/c1-11-9-16(19-25-11)21-17(20-8-4-5-14(20)18(21)22)13-10-12(23-2)6-7-15(13)24-3/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyMBWDYGJTLDCIIF-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.51
Rot. Bonds4

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

3-(2,5-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 3238192) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID3238192
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-(2,5-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESCOc1ccc(OC)c(C2N(c3cc(C)on3)C(=O)C3CCCN32)c1
InChIInChI=1S/C18H21N3O4/c1-11-9-16(19-25-11)21-17(20-8-4-5-14(20)18(21)22)13-10-12(23-2)6-7-15(13)24-3/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyMBWDYGJTLDCIIF-UHFFFAOYSA-N
XLogP2.51
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2,5-dimethoxyphenyl)-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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Related Compounds

(3R,7aS)-3-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686152
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
(3S,7aR)-2-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 11878371
(3R,7aS)-3-(4-ethylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686382
(3R,7aS)-2-pyridin-2-yl-3-(2,4,5-trimethoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686202
5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 3802453
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 70755395
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94461388
(5R)-5-(2,5-dimethoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 41020464
3-(4-methoxyphenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 4599866
3-(2-chlorophenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5308116
2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135101627

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 3238192) is 3-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is COc1ccc(OC)c(C2N(c3cc(C)on3)C(=O)C3CCCN32)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is MBWDYGJTLDCIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-9-16(19-25-11)21-17(20-8-4-5-14(20)18(21)22)13-10-12(23-2)6-7-15(13)24-3/h6-7,9-10,14,17H,4-5,8H2,1-3H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
3-(2,5-dimethoxyphenyl)-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 343.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-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 3238192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).