5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole

C18H22N2O — CID 59874886

IUPAC5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole
SMILESCC[C@H](C)CCc1nc(C)c(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C18H22N2O/c1-4-12(2)9-10-17-20-13(3)18(21-17)15-11-19-16-8-6-5-7-14(15)16/h5-8,11-12,19H,4,9-10H2,1-3H3/t12-/m0/s1
InChIKeyVTYKCNMRVZAFRE-LBPRGKRZSA-N
MW282.39 g/mol
LogP5.11
Rot. Bonds5

About 5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole

5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole (PubChem CID 59874886) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole
PubChem CID59874886
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole
SMILESCC[C@H](C)CCc1nc(C)c(-c2c[nH]c3ccccc23)o1
InChIInChI=1S/C18H22N2O/c1-4-12(2)9-10-17-20-13(3)18(21-17)15-11-19-16-8-6-5-7-14(15)16/h5-8,11-12,19H,4,9-10H2,1-3H3/t12-/m0/s1
InChIKeyVTYKCNMRVZAFRE-LBPRGKRZSA-N
XLogP5.11
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,3R)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;2,2,2-trifluoroacetic acid
CID 90817134
(1R,3S)-1-[5-(1H-indol-3-yl)-4-methyl-1,3-oxazol-2-yl]-N,3-dimethylpentan-1-amine;2,2,2-trifluoroacetic acid
CID 91161838
2-[(1R,3R)-1-(dimethylamino)-3-methylpentyl]-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 10689568
3-(1H-indol-3-yl)-4-methyl-1-[(2S)-2-methylbutyl]-2H-pyrrol-5-one
CID 166558530
5-(1H-indol-3-yl)-2-pentyl-1,3-oxazole
CID 5250460
2-(1H-indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 135876288
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
5-heptan-2-yl-3-(1H-indol-3-yl)-1,2,4-oxadiazole
CID 137255750
N-(2-methylbutyl)-1H-indol-3-amine
CID 175206983
3-[5-[(2S)-butan-2-yl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-1H-indole
CID 135768479
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
4-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butan-2-amine
CID 116877105

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole?
The IUPAC name of 5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole (CID 59874886) is 5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole.
What is the SMILES notation for 5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole?
The canonical SMILES for 5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole is CC[C@H](C)CCc1nc(C)c(-c2c[nH]c3ccccc23)o1.
What is the InChIKey of 5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole?
The InChIKey is VTYKCNMRVZAFRE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-12(2)9-10-17-20-13(3)18(21-17)15-11-19-16-8-6-5-7-14(15)16/h5-8,11-12,19H,4,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole?
5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole has a molecular weight of 282.39 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-4-methyl-2-[(3S)-3-methylpentyl]-1,3-oxazole is sourced from PubChem (CID 59874886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).