(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

C19H19FN4O2 — CID 56742877

IUPAC(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)o1
InChIInChI=1S/C19H19FN4O2/c1-3-17-22-12(2)18(26-17)19(25)23-10-14-8-21-24(16(14)11-23)9-13-4-6-15(20)7-5-13/h4-8H,3,9-11H2,1-2H3
InChIKeyFRBPCLUMQWXTSG-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.09
Rot. Bonds4

About (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (PubChem CID 56742877) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
PubChem CID56742877
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)o1
InChIInChI=1S/C19H19FN4O2/c1-3-17-22-12(2)18(26-17)19(25)23-10-14-8-21-24(16(14)11-23)9-13-4-6-15(20)7-5-13/h4-8H,3,9-11H2,1-2H3
InChIKeyFRBPCLUMQWXTSG-UHFFFAOYSA-N
XLogP3.09
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone (CID 56742877) is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is CCc1nc(C)c(C(=O)N2Cc3cnn(Cc4ccc(F)cc4)c3C2)o1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
The InChIKey is FRBPCLUMQWXTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-3-17-22-12(2)18(26-17)19(25)23-10-14-8-21-24(16(14)11-23)9-13-4-6-15(20)7-5-13/h4-8H,3,9-11H2,1-2H3.
What are the key properties of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone?
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone has a molecular weight of 354.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]methanone is sourced from PubChem (CID 56742877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).