5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole

C16H18N2O — CID 171518116

IUPAC5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole
SMILESCc1cc(Cc2ccc3cc(C(C)C)[nH]c3c2)no1
InChIInChI=1S/C16H18N2O/c1-10(2)15-9-13-5-4-12(8-16(13)17-15)7-14-6-11(3)19-18-14/h4-6,8-10,17H,7H2,1-3H3
InChIKeyKEYQMAIYZPJNTL-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.18
Rot. Bonds3

About 5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole

5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole (PubChem CID 171518116) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole
PubChem CID171518116
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole
SMILESCc1cc(Cc2ccc3cc(C(C)C)[nH]c3c2)no1
InChIInChI=1S/C16H18N2O/c1-10(2)15-9-13-5-4-12(8-16(13)17-15)7-14-6-11(3)19-18-14/h4-6,8-10,17H,7H2,1-3H3
InChIKeyKEYQMAIYZPJNTL-UHFFFAOYSA-N
XLogP4.18
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole (CID 171518116) is 5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole is Cc1cc(Cc2ccc3cc(C(C)C)[nH]c3c2)no1.
What is the InChIKey of 5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole?
The InChIKey is KEYQMAIYZPJNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10(2)15-9-13-5-4-12(8-16(13)17-15)7-14-6-11(3)19-18-14/h4-6,8-10,17H,7H2,1-3H3.
What are the key properties of 5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole?
5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole has a molecular weight of 254.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2-propan-2-yl-1H-indol-6-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 171518116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).