2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole

C16H16N4O — CID 106377546

IUPAC2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(Cn2cncc2-c2cccc3c2NCC3)o1
InChIInChI=1S/C16H16N4O/c1-11-7-19-15(21-11)9-20-10-17-8-14(20)13-4-2-3-12-5-6-18-16(12)13/h2-4,7-8,10,18H,5-6,9H2,1H3
InChIKeyRXHDSXWHZSREMN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.86
Rot. Bonds3

About 2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole

2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole (PubChem CID 106377546) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole
PubChem CID106377546
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(Cn2cncc2-c2cccc3c2NCC3)o1
InChIInChI=1S/C16H16N4O/c1-11-7-19-15(21-11)9-20-10-17-8-14(20)13-4-2-3-12-5-6-18-16(12)13/h2-4,7-8,10,18H,5-6,9H2,1H3
InChIKeyRXHDSXWHZSREMN-UHFFFAOYSA-N
XLogP2.86
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole (CID 106377546) is 2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole is Cc1cnc(Cn2cncc2-c2cccc3c2NCC3)o1.
What is the InChIKey of 2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
The InChIKey is RXHDSXWHZSREMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-7-19-15(21-11)9-20-10-17-8-14(20)13-4-2-3-12-5-6-18-16(12)13/h2-4,7-8,10,18H,5-6,9H2,1H3.
What are the key properties of 2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole?
2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole has a molecular weight of 280.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,3-dihydro-1H-indol-7-yl)imidazol-1-yl]methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106377546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).