3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole

C9H8F3N5O2 — CID 118614282

IUPAC3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCn1c(-c2noc(C(F)(F)F)n2)nc2c1CN(O)C2
InChIInChI=1S/C9H8F3N5O2/c1-16-5-3-17(18)2-4(5)13-7(16)6-14-8(19-15-6)9(10,11)12/h18H,2-3H2,1H3
InChIKeyMLILHBGZQFFYRQ-UHFFFAOYSA-N
MW275.19 g/mol
LogP1.19
Rot. Bonds1

About 3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole

3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 118614282) has the molecular formula C9H8F3N5O2 and a molecular weight of 275.19 g/mol. Its IUPAC name is 3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID118614282
Molecular FormulaC9H8F3N5O2
Molecular Weight275.19 g/mol
Exact Mass275.06
IUPAC Name3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCn1c(-c2noc(C(F)(F)F)n2)nc2c1CN(O)C2
InChIInChI=1S/C9H8F3N5O2/c1-16-5-3-17(18)2-4(5)13-7(16)6-14-8(19-15-6)9(10,11)12/h18H,2-3H2,1H3
InChIKeyMLILHBGZQFFYRQ-UHFFFAOYSA-N
XLogP1.19
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(Difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613839
5-Hydroxy-2-methyl-3-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613867
3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613885
2-[4-(Difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614094
5-Hydroxy-3-methyl-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614104
3-Ethyl-5-hydroxy-2-[5-(trifluoromethyl)tetrazol-2-yl]-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614106
2-(Difluoromethyl)-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614117
2-[4-(Difluoromethyl)-5-methyl-1,2,4-triazol-3-yl]-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614310
1-(2,3-Dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone
CID 153277592
(5-Hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-pyrrolidin-1-ylmethanone
CID 118613874
N,N-diethyl-5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613883
5-hydroxy-N,N,3-trimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613896

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 118614282) is 3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole is Cn1c(-c2noc(C(F)(F)F)n2)nc2c1CN(O)C2.
What is the InChIKey of 3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is MLILHBGZQFFYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O2/c1-16-5-3-17(18)2-4(5)13-7(16)6-14-8(19-15-6)9(10,11)12/h18H,2-3H2,1H3.
What are the key properties of 3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 275.19 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 118614282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).