2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile

C19H17N3O2 — CID 66558368

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile
SMILESCc1noc(C)c1-c1c(C#N)c2c(n1-c1ccc(O)cc1)CCC2
InChIInChI=1S/C19H17N3O2/c1-11-18(12(2)24-21-11)19-16(10-20)15-4-3-5-17(15)22(19)13-6-8-14(23)9-7-13/h6-9,23H,3-5H2,1-2H3
InChIKeyDMOLVBSVBYWXFY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.82
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile (PubChem CID 66558368) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile
PubChem CID66558368
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile
SMILESCc1noc(C)c1-c1c(C#N)c2c(n1-c1ccc(O)cc1)CCC2
InChIInChI=1S/C19H17N3O2/c1-11-18(12(2)24-21-11)19-16(10-20)15-4-3-5-17(15)22(19)13-6-8-14(23)9-7-13/h6-9,23H,3-5H2,1-2H3
InChIKeyDMOLVBSVBYWXFY-UHFFFAOYSA-N
XLogP3.82
TPSA74.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile (CID 66558368) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile is Cc1noc(C)c1-c1c(C#N)c2c(n1-c1ccc(O)cc1)CCC2.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile?
The InChIKey is DMOLVBSVBYWXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-11-18(12(2)24-21-11)19-16(10-20)15-4-3-5-17(15)22(19)13-6-8-14(23)9-7-13/h6-9,23H,3-5H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile has a molecular weight of 319.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[b]pyrrole-3-carbonitrile is sourced from PubChem (CID 66558368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).