(2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

C24H31N3O3 — CID 121412847

IUPAC(2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCc1oc(N2CC3CN(C(=O)c4ccccc4C4CCC4)CC3C2)nc1C(C)(C)O
InChIInChI=1S/C24H31N3O3/c1-15-21(24(2,3)29)25-23(30-15)27-13-17-11-26(12-18(17)14-27)22(28)20-10-5-4-9-19(20)16-7-6-8-16/h4-5,9-10,16-18,29H,6-8,11-14H2,1-3H3
InChIKeyXFCVHBDMAHGRFG-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.69
Rot. Bonds4

About (2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone

(2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (PubChem CID 121412847) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
PubChem CID121412847
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
SMILESCc1oc(N2CC3CN(C(=O)c4ccccc4C4CCC4)CC3C2)nc1C(C)(C)O
InChIInChI=1S/C24H31N3O3/c1-15-21(24(2,3)29)25-23(30-15)27-13-17-11-26(12-18(17)14-27)22(28)20-10-5-4-9-19(20)16-7-6-8-16/h4-5,9-10,16-18,29H,6-8,11-14H2,1-3H3
InChIKeyXFCVHBDMAHGRFG-UHFFFAOYSA-N
XLogP3.69
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone with MolForge

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Related Compounds

[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)phenyl]methanone
CID 121412852
[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 121427945
[2-(4-ethyl-5-methyl-1,3-oxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone
CID 121427993
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 52917242
(2-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone
CID 114602101
2-cyclobutyl-N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)-5-methyltriazol-2-yl]ethyl]benzamide
CID 121440247
[(3aS,6aR)-2-[5-fluoro-4-(2-hydroxypropan-2-yl)-6-methylpyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 165124178
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
CID 67116901
(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone
CID 114601968
[2-(6-methyl-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
CID 67116353
ethyl 2-cyclobutylbenzoate
CID 106942755

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The IUPAC name of (2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone (CID 121412847) is (2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone.
What is the SMILES notation for (2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The canonical SMILES for (2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is Cc1oc(N2CC3CN(C(=O)c4ccccc4C4CCC4)CC3C2)nc1C(C)(C)O.
What is the InChIKey of (2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
The InChIKey is XFCVHBDMAHGRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-15-21(24(2,3)29)25-23(30-15)27-13-17-11-26(12-18(17)14-27)22(28)20-10-5-4-9-19(20)16-7-6-8-16/h4-5,9-10,16-18,29H,6-8,11-14H2,1-3H3.
What are the key properties of (2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone?
(2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone has a molecular weight of 409.53 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-[2-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone is sourced from PubChem (CID 121412847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).