2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide

C24H25N3O3 — CID 25336848

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C24H25N3O3/c1-17-21(18(2)30-26-17)16-29-23-11-6-4-9-20(23)24(28)25-13-7-14-27-15-12-19-8-3-5-10-22(19)27/h3-6,8-12,15H,7,13-14,16H2,1-2H3,(H,25,28)
InChIKeyWVACOKMUXDKKFS-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.65
Rot. Bonds8

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide (PubChem CID 25336848) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide
PubChem CID25336848
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide
SMILESCc1noc(C)c1COc1ccccc1C(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C24H25N3O3/c1-17-21(18(2)30-26-17)16-29-23-11-6-4-9-20(23)24(28)25-13-7-14-27-15-12-19-8-3-5-10-22(19)27/h3-6,8-12,15H,7,13-14,16H2,1-2H3,(H,25,28)
InChIKeyWVACOKMUXDKKFS-UHFFFAOYSA-N
XLogP4.65
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(3-indol-1-ylpropyl)prop-2-enamide
CID 55349372
N-(2-acetamidoethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 43006676
N-(3-butoxypropyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 30544768
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 25163296
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-prop-2-enylbenzamide
CID 30533521
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445543
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylpyrazol-3-yl)benzamide
CID 29097115
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 35828889
N-(3-indol-1-ylpropyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55791961
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide
CID 94800294
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(2S)-6-methylheptan-2-yl]benzamide
CID 29363899

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide (CID 25336848) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide is Cc1noc(C)c1COc1ccccc1C(=O)NCCCn1ccc2ccccc21.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide?
The InChIKey is WVACOKMUXDKKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-21(18(2)30-26-17)16-29-23-11-6-4-9-20(23)24(28)25-13-7-14-27-15-12-19-8-3-5-10-22(19)27/h3-6,8-12,15H,7,13-14,16H2,1-2H3,(H,25,28).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide has a molecular weight of 403.48 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-indol-1-ylpropyl)benzamide is sourced from PubChem (CID 25336848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).