3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide

C18H24N4O2 — CID 46988882

IUPAC3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide
SMILESCCC1=NOC(CNCc2cn(CCC(N)=O)c3ccccc23)C1
InChIInChI=1S/C18H24N4O2/c1-2-14-9-15(24-21-14)11-20-10-13-12-22(8-7-18(19)23)17-6-4-3-5-16(13)17/h3-6,12,15,20H,2,7-11H2,1H3,(H2,19,23)
InChIKeySABNANHDENNSCM-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.16
Rot. Bonds8

About 3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide

3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide (PubChem CID 46988882) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide
PubChem CID46988882
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide
SMILESCCC1=NOC(CNCc2cn(CCC(N)=O)c3ccccc23)C1
InChIInChI=1S/C18H24N4O2/c1-2-14-9-15(24-21-14)11-20-10-13-12-22(8-7-18(19)23)17-6-4-3-5-16(13)17/h3-6,12,15,20H,2,7-11H2,1H3,(H2,19,23)
InChIKeySABNANHDENNSCM-UHFFFAOYSA-N
XLogP2.16
TPSA81.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
3-[3-[[[1-[ethyl(methyl)amino]cyclohexyl]methylamino]methyl]indol-1-yl]propanamide
CID 46989963
3-[3-[[[2-(2-methylimidazol-1-yl)phenyl]methylamino]methyl]indol-1-yl]propanamide
CID 46985571
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
3-[3-[(3-pyridin-4-ylpropylamino)methyl]indol-1-yl]propanamide
CID 46987148
1-(oxolan-2-yl)-N-[(1-propylindol-3-yl)methyl]methanamine
CID 119027030
3-[3-[[(2-hydroxy-3-phenylpropyl)amino]methyl]indol-1-yl]propanamide
CID 46989574
3-[3-(2-aminoethyl)indol-1-yl]propanamide
CID 55164863
N-[(1-ethylindol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29228595
3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide
CID 46985288
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide?
The IUPAC name of 3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide (CID 46988882) is 3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide?
The canonical SMILES for 3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide is CCC1=NOC(CNCc2cn(CCC(N)=O)c3ccccc23)C1.
What is the InChIKey of 3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide?
The InChIKey is SABNANHDENNSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-14-9-15(24-21-14)11-20-10-13-12-22(8-7-18(19)23)17-6-4-3-5-16(13)17/h3-6,12,15,20H,2,7-11H2,1H3,(H2,19,23).
What are the key properties of 3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide?
3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide has a molecular weight of 328.42 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]indol-1-yl]propanamide is sourced from PubChem (CID 46988882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).