2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole

C17H21N3O — CID 66210190

IUPAC2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole
SMILESCC1C2CNCC2CN1Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H21N3O/c1-12-15-8-18-7-14(15)10-20(12)11-17-19-9-16(21-17)13-5-3-2-4-6-13/h2-6,9,12,14-15,18H,7-8,10-11H2,1H3
InChIKeyHUBBZDFSBXUYEH-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.38
Rot. Bonds3

About 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole

2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole (PubChem CID 66210190) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole
PubChem CID66210190
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole
SMILESCC1C2CNCC2CN1Cc1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H21N3O/c1-12-15-8-18-7-14(15)10-20(12)11-17-19-9-16(21-17)13-5-3-2-4-6-13/h2-6,9,12,14-15,18H,7-8,10-11H2,1H3
InChIKeyHUBBZDFSBXUYEH-UHFFFAOYSA-N
XLogP2.38
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole with MolForge

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Related Compounds

2,6-dimethyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 51072746
2-[(2-methylpiperidin-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 75790350
3-(furan-2-yl)-5-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,2,4-oxadiazole
CID 66207662
5-[(2-fluorophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210692
4-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]isoquinoline
CID 104504396
4-methyl-5-[(4-phenylmethoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 113242470
[3-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788920
[4-methyl-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-2-yl]methanamine
CID 80505307
4-methyl-5-(naphthalen-1-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211652
2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline
CID 66211269
4-methyl-5-[(2-propylpyrazol-3-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114556388
[6-methyl-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methanol
CID 102936044

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole (CID 66210190) is 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole is CC1C2CNCC2CN1Cc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole?
The InChIKey is HUBBZDFSBXUYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-15-8-18-7-14(15)10-20(12)11-17-19-9-16(21-17)13-5-3-2-4-6-13/h2-6,9,12,14-15,18H,7-8,10-11H2,1H3.
What are the key properties of 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole?
2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole has a molecular weight of 283.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 66210190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).