1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione

C21H21N5O3 — CID 167911151

IUPAC1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
SMILESCC1CCc2[nH]c3ccc(-c4nc(-c5cn(C)c(=O)n(C)c5=O)no4)cc3c2C1
InChIInChI=1S/C21H21N5O3/c1-11-4-6-16-13(8-11)14-9-12(5-7-17(14)22-16)19-23-18(24-29-19)15-10-25(2)21(28)26(3)20(15)27/h5,7,9-11,22H,4,6,8H2,1-3H3
InChIKeyDGRFPLOOJPGCLG-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.41
Rot. Bonds2

About 1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione

1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione (PubChem CID 167911151) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
PubChem CID167911151
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
SMILESCC1CCc2[nH]c3ccc(-c4nc(-c5cn(C)c(=O)n(C)c5=O)no4)cc3c2C1
InChIInChI=1S/C21H21N5O3/c1-11-4-6-16-13(8-11)14-9-12(5-7-17(14)22-16)19-23-18(24-29-19)15-10-25(2)21(28)26(3)20(15)27/h5,7,9-11,22H,4,6,8H2,1-3H3
InChIKeyDGRFPLOOJPGCLG-UHFFFAOYSA-N
XLogP2.41
TPSA98.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione (CID 167911151) is 1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione is CC1CCc2[nH]c3ccc(-c4nc(-c5cn(C)c(=O)n(C)c5=O)no4)cc3c2C1.
What is the InChIKey of 1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione?
The InChIKey is DGRFPLOOJPGCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-11-4-6-16-13(8-11)14-9-12(5-7-17(14)22-16)19-23-18(24-29-19)15-10-25(2)21(28)26(3)20(15)27/h5,7,9-11,22H,4,6,8H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione has a molecular weight of 391.43 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[5-(6-methyl-6,7,8,9-tetrahydro-5H-carbazol-3-yl)-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 167911151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).