3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole

C19H18N4O — CID 155195055

IUPAC3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2c(ccn2[C@@H](C)c2ccccn2)c1
InChIInChI=1S/C19H18N4O/c1-12-18(14(3)24-22-12)16-10-15-7-9-23(19(15)21-11-16)13(2)17-6-4-5-8-20-17/h4-11,13H,1-3H3/t13-/m0/s1
InChIKeyLRXLEXXUNFJXBI-ZDUSSCGKSA-N
MW318.38 g/mol
LogP4.31
Rot. Bonds3

About 3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole

3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole (PubChem CID 155195055) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
PubChem CID155195055
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2c(ccn2[C@@H](C)c2ccccn2)c1
InChIInChI=1S/C19H18N4O/c1-12-18(14(3)24-22-12)16-10-15-7-9-23(19(15)21-11-16)13(2)17-6-4-5-8-20-17/h4-11,13H,1-3H3/t13-/m0/s1
InChIKeyLRXLEXXUNFJXBI-ZDUSSCGKSA-N
XLogP4.31
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole (CID 155195055) is 3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole is Cc1noc(C)c1-c1cnc2c(ccn2[C@@H](C)c2ccccn2)c1.
What is the InChIKey of 3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole?
The InChIKey is LRXLEXXUNFJXBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12-18(14(3)24-22-12)16-10-15-7-9-23(19(15)21-11-16)13(2)17-6-4-5-8-20-17/h4-11,13H,1-3H3/t13-/m0/s1.
What are the key properties of 3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole?
3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole has a molecular weight of 318.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[1-[(1S)-1-pyridin-2-ylethyl]pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole is sourced from PubChem (CID 155195055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).