5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole

C36H26N4O2 — CID 163759965

IUPAC5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2cncc(-c3cc4ccc5cc(-c6cncc(-c7oc(C)nc7C)c6)cc6ccc(c3)c4c56)c2)o1
InChIInChI=1S/C36H26N4O2/c1-19-35(41-21(3)39-19)31-13-29(15-37-17-31)27-9-23-5-7-25-11-28(12-26-8-6-24(10-27)33(23)34(25)26)30-14-32(18-38-16-30)36-20(2)40-22(4)42-36/h5-18H,1-4H3
InChIKeyLXIYSSQDSWFGFO-UHFFFAOYSA-N
MW546.63 g/mol
LogP9.25
Rot. Bonds4

About 5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole

5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole (PubChem CID 163759965) has the molecular formula C36H26N4O2 and a molecular weight of 546.63 g/mol. Its IUPAC name is 5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole
PubChem CID163759965
Molecular FormulaC36H26N4O2
Molecular Weight546.63 g/mol
Exact Mass546.21
IUPAC Name5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole
SMILESCc1nc(C)c(-c2cncc(-c3cc4ccc5cc(-c6cncc(-c7oc(C)nc7C)c6)cc6ccc(c3)c4c56)c2)o1
InChIInChI=1S/C36H26N4O2/c1-19-35(41-21(3)39-19)31-13-29(15-37-17-31)27-9-23-5-7-25-11-28(12-26-8-6-24(10-27)33(23)34(25)26)30-14-32(18-38-16-30)36-20(2)40-22(4)42-36/h5-18H,1-4H3
InChIKeyLXIYSSQDSWFGFO-UHFFFAOYSA-N
XLogP9.25
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-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 5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole (CID 163759965) is 5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole is Cc1nc(C)c(-c2cncc(-c3cc4ccc5cc(-c6cncc(-c7oc(C)nc7C)c6)cc6ccc(c3)c4c56)c2)o1.
What is the InChIKey of 5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole?
The InChIKey is LXIYSSQDSWFGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O2/c1-19-35(41-21(3)39-19)31-13-29(15-37-17-31)27-9-23-5-7-25-11-28(12-26-8-6-24(10-27)33(23)34(25)26)30-14-32(18-38-16-30)36-20(2)40-22(4)42-36/h5-18H,1-4H3.
What are the key properties of 5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole?
5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole has a molecular weight of 546.63 g/mol, XLogP of 9.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 163759965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).