[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

C19H24FN3O4S — CID 138378496

IUPAC[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESCc1noc(C)c1CN1CC2CN(S(=O)(=O)c3cccc(F)c3)CC2(CO)C1
InChIInChI=1S/C19H24FN3O4S/c1-13-18(14(2)27-21-13)9-22-7-15-8-23(11-19(15,10-22)12-24)28(25,26)17-5-3-4-16(20)6-17/h3-6,15,24H,7-12H2,1-2H3
InChIKeyRPPQEMLKSRVHQB-UHFFFAOYSA-N
MW409.48 g/mol
LogP1.55
Rot. Bonds5

About [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 138378496) has the molecular formula C19H24FN3O4S and a molecular weight of 409.48 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
PubChem CID138378496
Molecular FormulaC19H24FN3O4S
Molecular Weight409.48 g/mol
Exact Mass409.15
IUPAC Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
SMILESCc1noc(C)c1CN1CC2CN(S(=O)(=O)c3cccc(F)c3)CC2(CO)C1
InChIInChI=1S/C19H24FN3O4S/c1-13-18(14(2)27-21-13)9-22-7-15-8-23(11-19(15,10-22)12-24)28(25,26)17-5-3-4-16(20)6-17/h3-6,15,24H,7-12H2,1-2H3
InChIKeyRPPQEMLKSRVHQB-UHFFFAOYSA-N
XLogP1.55
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8574219
5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1H-pyrazin-2-one
CID 138382440
[(3aS,6aS)-5-(4-methylphenyl)sulfonyl-2-[2-(1,2,4-triazol-4-yl)ethyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 164699735
[(3aS,9bS)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxy-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 72905415
[2-[2-(benzenesulfonyl)ethyl]-5-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol
CID 138385833
4-[[(3aR,7aR)-2-[(3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124834944
(3aS,6aR)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(3-fluorophenyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124835135
4-[[(5S)-2-(4-fluorophenyl)sulfonyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483085
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 42901011
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 9156672
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 75527446
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-N-methylbenzamide
CID 55621463

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol (CID 138378496) is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is Cc1noc(C)c1CN1CC2CN(S(=O)(=O)c3cccc(F)c3)CC2(CO)C1.
What is the InChIKey of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is RPPQEMLKSRVHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4S/c1-13-18(14(2)27-21-13)9-22-7-15-8-23(11-19(15,10-22)12-24)28(25,26)17-5-3-4-16(20)6-17/h3-6,15,24H,7-12H2,1-2H3.
What are the key properties of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol?
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 409.48 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(3-fluorophenyl)sulfonyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 138378496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).