4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C23H23N3O — CID 174601518

IUPAC4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cn1c(C)c(C)c2ccnc(C=Cc3ccccc3)c21
InChIInChI=1S/C23H23N3O/c1-15-17(3)26(14-21-16(2)25-27-18(21)4)23-20(15)12-13-24-22(23)11-10-19-8-6-5-7-9-19/h5-13H,14H2,1-4H3
InChIKeyOAGAYCAFIAPIAV-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.48
Rot. Bonds4

About 4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 174601518) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID174601518
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cn1c(C)c(C)c2ccnc(C=Cc3ccccc3)c21
InChIInChI=1S/C23H23N3O/c1-15-17(3)26(14-21-16(2)25-27-18(21)4)23-20(15)12-13-24-22(23)11-10-19-8-6-5-7-9-19/h5-13H,14H2,1-4H3
InChIKeyOAGAYCAFIAPIAV-UHFFFAOYSA-N
XLogP5.48
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-[[7-(4-benzylpiperidin-1-yl)-2,3-dimethylpyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 142681082
(E)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one;hydrochloride
CID 71782735
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine
CID 67142264
1,3-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinazoline-2,4-dione;sulfuryl dichloride
CID 121398249
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
CID 78954722
1-benzyl-7-[(4-chlorophenoxy)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine;hydrochloride
CID 11690137
4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 79294186
3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole
CID 78766650
4-[[7-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 79238246
4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole
CID 83510648
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 66413883

Frequently Asked Questions

What is the IUPAC name of 4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 174601518) is 4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1Cn1c(C)c(C)c2ccnc(C=Cc3ccccc3)c21.
What is the InChIKey of 4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is OAGAYCAFIAPIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-15-17(3)26(14-21-16(2)25-27-18(21)4)23-20(15)12-13-24-22(23)11-10-19-8-6-5-7-9-19/h5-13H,14H2,1-4H3.
What are the key properties of 4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 357.46 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,3-dimethyl-7-(2-phenylethenyl)pyrrolo[2,3-c]pyridin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 174601518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).