4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole

C14H14N2O — CID 11550369

IUPAC4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2O/c1-9-13(10(2)17-16-9)7-11-8-15-14-6-4-3-5-12(11)14/h3-6,8,15H,7H2,1-2H3
InChIKeySPJWOSTXKTZTNJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.36
Rot. Bonds2

About 4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole

4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 11550369) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole
PubChem CID11550369
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2O/c1-9-13(10(2)17-16-9)7-11-8-15-14-6-4-3-5-12(11)14/h3-6,8,15H,7H2,1-2H3
InChIKeySPJWOSTXKTZTNJ-UHFFFAOYSA-N
XLogP3.36
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(1H-indol-3-yl)ethanamine
CID 28781264
2-(1H-indol-3-ylmethyl)-3-methylaniline
CID 175306160
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135558011
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N'-[2-(1H-indol-3-yl)acetyl]pyridine-3-carbohydrazide
CID 24644217
3-ethyl-1H-indole;methanamine
CID 142222050
5-(1H-indol-3-ylmethyl)-3-[3-(3-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 127027705
3-[(4-methyl-2-pyridinyl)methyl]-1H-indole
CID 23967759
1-(1H-indol-3-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 106391408
N-(1H-indol-3-ylmethyl)-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 62325414
5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 127028684
3-tert-butyl-N-(1H-indol-3-ylmethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110605804
5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 15646289

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole (CID 11550369) is 4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1Cc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is SPJWOSTXKTZTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9-13(10(2)17-16-9)7-11-8-15-14-6-4-3-5-12(11)14/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole?
4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 226.28 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylmethyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 11550369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).