2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole

C18H14N2O — CID 53381001

IUPAC2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole
SMILESc1ccc(Cc2ncc(-c3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C18H14N2O/c1-2-6-13(7-3-1)10-18-20-12-17(21-18)15-11-19-16-9-5-4-8-14(15)16/h1-9,11-12,19H,10H2
InChIKeyLFWCVFAPGCFWSX-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.41
Rot. Bonds3

About 2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole

2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole (PubChem CID 53381001) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole
PubChem CID53381001
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole
SMILESc1ccc(Cc2ncc(-c3c[nH]c4ccccc34)o2)cc1
InChIInChI=1S/C18H14N2O/c1-2-6-13(7-3-1)10-18-20-12-17(21-18)15-11-19-16-9-5-4-8-14(15)16/h1-9,11-12,19H,10H2
InChIKeyLFWCVFAPGCFWSX-UHFFFAOYSA-N
XLogP4.41
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
1-[7-(1,3-benzoxazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507819
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-oxazol-5-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507826
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-oxazol-2-yl-1H-indol-3-yl)ethane-1,2-dione
CID 507881
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-oxazol-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280240
1-(4-benzoylpiperazin-1-yl)-2-(7-oxazol-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958911
1-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]-2-(7-oxazol-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 15958920
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 776012
N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine
CID 10445796
N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 15603614
N-[6-(1,3-oxazol-2-yl)-6-oxohexyl]-1H-indole-2-carboxamide
CID 44350642

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole?
The IUPAC name of 2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole (CID 53381001) is 2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole?
The canonical SMILES for 2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole is c1ccc(Cc2ncc(-c3c[nH]c4ccccc34)o2)cc1.
What is the InChIKey of 2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole?
The InChIKey is LFWCVFAPGCFWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-2-6-13(7-3-1)10-18-20-12-17(21-18)15-11-19-16-9-5-4-8-14(15)16/h1-9,11-12,19H,10H2.
What are the key properties of 2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole?
2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole has a molecular weight of 274.32 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(1H-indol-3-yl)-1,3-oxazole is sourced from PubChem (CID 53381001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).