2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole

C24H26N4O2 — CID 62705135

IUPAC2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole
SMILESCc1cc(C)nc(OCCCn2c3c(c4cc(-c5ncco5)ccc42)CCCC3)n1
InChIInChI=1S/C24H26N4O2/c1-16-14-17(2)27-24(26-16)30-12-5-11-28-21-7-4-3-6-19(21)20-15-18(8-9-22(20)28)23-25-10-13-29-23/h8-10,13-15H,3-7,11-12H2,1-2H3
InChIKeyFIOKJVSURULZLG-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.05
Rot. Bonds6

About 2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole

2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole (PubChem CID 62705135) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole
PubChem CID62705135
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole
SMILESCc1cc(C)nc(OCCCn2c3c(c4cc(-c5ncco5)ccc42)CCCC3)n1
InChIInChI=1S/C24H26N4O2/c1-16-14-17(2)27-24(26-16)30-12-5-11-28-21-7-4-3-6-19(21)20-15-18(8-9-22(20)28)23-25-10-13-29-23/h8-10,13-15H,3-7,11-12H2,1-2H3
InChIKeyFIOKJVSURULZLG-UHFFFAOYSA-N
XLogP5.05
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole (CID 62705135) is 2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole is Cc1cc(C)nc(OCCCn2c3c(c4cc(-c5ncco5)ccc42)CCCC3)n1.
What is the InChIKey of 2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole?
The InChIKey is FIOKJVSURULZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-14-17(2)27-24(26-16)30-12-5-11-28-21-7-4-3-6-19(21)20-15-18(8-9-22(20)28)23-25-10-13-29-23/h8-10,13-15H,3-7,11-12H2,1-2H3.
What are the key properties of 2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole?
2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole has a molecular weight of 402.50 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(4,6-dimethylpyrimidin-2-yl)oxypropyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 62705135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).