[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

C23H27N5O3 — CID 121427945

IUPAC[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
SMILESCc1oc(N2CC3CN(C(=O)c4ccccc4-n4cccn4)CC3C2)nc1C(C)(C)O
InChIInChI=1S/C23H27N5O3/c1-15-20(23(2,3)30)25-22(31-15)27-13-16-11-26(12-17(16)14-27)21(29)18-7-4-5-8-19(18)28-10-6-9-24-28/h4-10,16-17,30H,11-14H2,1-3H3
InChIKeyLRCUKRPBDJODPL-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.60
Rot. Bonds4

About [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

[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 (PubChem CID 121427945) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID121427945
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name[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
SMILESCc1oc(N2CC3CN(C(=O)c4ccccc4-n4cccn4)CC3C2)nc1C(C)(C)O
InChIInChI=1S/C23H27N5O3/c1-15-20(23(2,3)30)25-22(31-15)27-13-16-11-26(12-17(16)14-27)21(29)18-7-4-5-8-19(18)28-10-6-9-24-28/h4-10,16-17,30H,11-14H2,1-3H3
InChIKeyLRCUKRPBDJODPL-UHFFFAOYSA-N
XLogP2.60
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Related Compounds

(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
[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
[8-(4,6-dimethylpyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 121371991
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 169419530
[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
[2-(6-chloro-1,3-benzoxazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 129179536
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 110022944
[2-(2-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 67116596
[2-[6-methyl-2-(trifluoromethyl)-2,5-dihydropyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123842522
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 51119873
[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-(2-pyrazol-1-yl-3-pyridinyl)methanone
CID 121378814
2-(2-pyrazol-1-ylphenyl)propan-2-ol
CID 117290916

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1oc(N2CC3CN(C(=O)c4ccccc4-n4cccn4)CC3C2)nc1C(C)(C)O.
What is the InChIKey of [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?
The InChIKey is LRCUKRPBDJODPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-20(23(2,3)30)25-22(31-15)27-13-16-11-26(12-17(16)14-27)21(29)18-7-4-5-8-19(18)28-10-6-9-24-28/h4-10,16-17,30H,11-14H2,1-3H3.
What are the key properties of [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?
[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 has a molecular weight of 421.50 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 121427945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).