2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C30H24N6O3 — CID 135250707

IUPAC2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(C2=NCCO2)nc(-c2cc(-c3cncc(C4=NCCO4)c3)cc(-c3cncc(C4=NCCO4)c3)c2)c1
InChIInChI=1S/C30H24N6O3/c1-2-26(36-27(3-1)30-35-6-9-39-30)21-11-19(22-13-24(17-31-15-22)28-33-4-7-37-28)10-20(12-21)23-14-25(18-32-16-23)29-34-5-8-38-29/h1-3,10-18H,4-9H2
InChIKeyVXJAWVLLLJVNFD-UHFFFAOYSA-N
MW516.56 g/mol
LogP4.20
Rot. Bonds6

About 2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 135250707) has the molecular formula C30H24N6O3 and a molecular weight of 516.56 g/mol. Its IUPAC name is 2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID135250707
Molecular FormulaC30H24N6O3
Molecular Weight516.56 g/mol
Exact Mass516.19
IUPAC Name2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(C2=NCCO2)nc(-c2cc(-c3cncc(C4=NCCO4)c3)cc(-c3cncc(C4=NCCO4)c3)c2)c1
InChIInChI=1S/C30H24N6O3/c1-2-26(36-27(3-1)30-35-6-9-39-30)21-11-19(22-13-24(17-31-15-22)28-33-4-7-37-28)10-20(12-21)23-14-25(18-32-16-23)29-34-5-8-38-29/h1-3,10-18H,4-9H2
InChIKeyVXJAWVLLLJVNFD-UHFFFAOYSA-N
XLogP4.20
TPSA103.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.56
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 135250707) is 2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is c1cc(C2=NCCO2)nc(-c2cc(-c3cncc(C4=NCCO4)c3)cc(-c3cncc(C4=NCCO4)c3)c2)c1.
What is the InChIKey of 2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is VXJAWVLLLJVNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O3/c1-2-26(36-27(3-1)30-35-6-9-39-30)21-11-19(22-13-24(17-31-15-22)28-33-4-7-37-28)10-20(12-21)23-14-25(18-32-16-23)29-34-5-8-38-29/h1-3,10-18H,4-9H2.
What are the key properties of 2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 516.56 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3,5-bis[5-(4,5-dihydro-1,3-oxazol-2-yl)-3-pyridinyl]phenyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135250707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).