5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole

C22H20N4O — CID 19705296

IUPAC5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole
SMILESC1=C(c2ncc(-c3ccccc3)o2)CCN(Cc2c[nH]c3ncccc23)C1
InChIInChI=1S/C22H20N4O/c1-2-5-16(6-3-1)20-14-25-22(27-20)17-8-11-26(12-9-17)15-18-13-24-21-19(18)7-4-10-23-21/h1-8,10,13-14H,9,11-12,15H2,(H,23,24)
InChIKeyFTMGDCIQIHNVPP-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.51
Rot. Bonds4

About 5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole

5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole (PubChem CID 19705296) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole
PubChem CID19705296
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole
SMILESC1=C(c2ncc(-c3ccccc3)o2)CCN(Cc2c[nH]c3ncccc23)C1
InChIInChI=1S/C22H20N4O/c1-2-5-16(6-3-1)20-14-25-22(27-20)17-8-11-26(12-9-17)15-18-13-24-21-19(18)7-4-10-23-21/h1-8,10,13-14H,9,11-12,15H2,(H,23,24)
InChIKeyFTMGDCIQIHNVPP-UHFFFAOYSA-N
XLogP4.51
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole?
The IUPAC name of 5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole (CID 19705296) is 5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole is C1=C(c2ncc(-c3ccccc3)o2)CCN(Cc2c[nH]c3ncccc23)C1.
What is the InChIKey of 5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole?
The InChIKey is FTMGDCIQIHNVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-5-16(6-3-1)20-14-25-22(27-20)17-8-11-26(12-9-17)15-18-13-24-21-19(18)7-4-10-23-21/h1-8,10,13-14H,9,11-12,15H2,(H,23,24).
What are the key properties of 5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole?
5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole has a molecular weight of 356.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-oxazole is sourced from PubChem (CID 19705296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).