N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

C18H21N3O2 — CID 70782360

IUPACN-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCn2ccc3ccccc32)on1
InChIInChI=1S/C18H21N3O2/c1-13(2)15-12-17(23-20-15)18(22)19-9-5-10-21-11-8-14-6-3-4-7-16(14)21/h3-4,6-8,11-13H,5,9-10H2,1-2H3,(H,19,22)
InChIKeyPMHLHXWSZBMJQI-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.57
Rot. Bonds6

About N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 70782360) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID70782360
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCn2ccc3ccccc32)on1
InChIInChI=1S/C18H21N3O2/c1-13(2)15-12-17(23-20-15)18(22)19-9-5-10-21-11-8-14-6-3-4-7-16(14)21/h3-4,6-8,11-13H,5,9-10H2,1-2H3,(H,19,22)
InChIKeyPMHLHXWSZBMJQI-UHFFFAOYSA-N
XLogP3.57
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzotriazol-1-yl)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 74232653
1-ethyl-3-(3-indol-1-ylpropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111585281
N-(2-naphthalen-1-ylethyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86948151
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid
CID 120820708
N-(3-indol-1-ylpropyl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide
CID 166207086
N-(3-indol-1-ylpropyl)-1-methylpyrrole-2-carboxamide
CID 78799397
(2S)-N-(3-indol-1-ylpropyl)-2-methylsulfonylpropanamide
CID 94154350
7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid
CID 119227538
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
N-[3-(2,6-dimethylphenoxy)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86948250
N-(3-indol-1-ylpropyl)-2-methyl-2-(methylamino)propanamide
CID 62845640

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 70782360) is N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)NCCCn2ccc3ccccc32)on1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is PMHLHXWSZBMJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(2)15-12-17(23-20-15)18(22)19-9-5-10-21-11-8-14-6-3-4-7-16(14)21/h3-4,6-8,11-13H,5,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70782360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).