2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole

C17H22N2O — CID 3545527

IUPAC2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCCn1cc(C2=NC(CC(C)C)CO2)c2ccccc21
InChIInChI=1S/C17H22N2O/c1-4-19-10-15(14-7-5-6-8-16(14)19)17-18-13(11-20-17)9-12(2)3/h5-8,10,12-13H,4,9,11H2,1-3H3
InChIKeyBGVUABVMKMFELP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.85
Rot. Bonds4

About 2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole

2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole (PubChem CID 3545527) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
PubChem CID3545527
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
SMILESCCn1cc(C2=NC(CC(C)C)CO2)c2ccccc21
InChIInChI=1S/C17H22N2O/c1-4-19-10-15(14-7-5-6-8-16(14)19)17-18-13(11-20-17)9-12(2)3/h5-8,10,12-13H,4,9,11H2,1-3H3
InChIKeyBGVUABVMKMFELP-UHFFFAOYSA-N
XLogP3.85
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Siramesine
CID 9829526
N-methoxyindole-3-carbinol
CID 398553
1''-[4-(1-benzyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9889994
1'-[4-(1-pyridin-4-ylindol-3-yl)butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 9980526
4-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10073546
5-fluoro-1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 10322581
1-[3-(4-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutyl)indol-1-yl]ethanone
CID 10341071
1''-[4-(1-methyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10362072
1''-[4-(1-methylsulfonyl-1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10365874
1''-[4-(1H-3-indolyl)butyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 10473699
2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 14789983
2'-(2-iodo-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 15176144

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole (CID 3545527) is 2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole is CCn1cc(C2=NC(CC(C)C)CO2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BGVUABVMKMFELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-19-10-15(14-7-5-6-8-16(14)19)17-18-13(11-20-17)9-12(2)3/h5-8,10,12-13H,4,9,11H2,1-3H3.
What are the key properties of 2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole?
2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 270.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3545527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).