4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole

C20H18N2O — CID 156790239

IUPAC4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H18N2O/c1-14-20(15(2)23-21-14)18-9-8-17-10-11-22(19(17)12-18)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyYOLNCPSNENGUCN-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.96
Rot. Bonds3

About 4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole

4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 156790239) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID156790239
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H18N2O/c1-14-20(15(2)23-21-14)18-9-8-17-10-11-22(19(17)12-18)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
InChIKeyYOLNCPSNENGUCN-UHFFFAOYSA-N
XLogP4.96
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

4-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-3,5-dimethyl-1,2-oxazole
CID 156790234
3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-ethylbenzimidazol-2-one
CID 121375958
1-benzyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoxalin-2-one
CID 87057244
1-benzyl-3-chloro-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
CID 90234436
4-(1-benzylpyrazolo[4,5-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 121375892
4-(1-benzyl-3-isocyanopyrrolo[3,2-b]pyridin-6-yl)-3,5-dimethyl-1,2-oxazole
CID 140721848
1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)pyridin-2-one
CID 90234589
1-benzyl-6-[4-(trifluoromethyl)phenyl]indole
CID 22032920
5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine
CID 139030488
4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375785
(3R)-4-benzyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 121375783
1-benzylindol-6-amine
CID 69325204

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole (CID 156790239) is 4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2ccn(Cc3ccccc3)c2c1.
What is the InChIKey of 4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is YOLNCPSNENGUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-14-20(15(2)23-21-14)18-9-8-17-10-11-22(19(17)12-18)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3.
What are the key properties of 4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole?
4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 302.38 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 156790239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).