3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C24H24N4O2 — CID 29151879

IUPAC3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESO=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H24N4O2/c29-22(26-21-11-5-7-16-6-1-2-8-18(16)21)12-13-23-27-28-24(30-23)14-17-15-25-20-10-4-3-9-19(17)20/h1-4,6,8-10,15,21,25H,5,7,11-14H2,(H,26,29)/t21-/m1/s1
InChIKeyUVWISLYVNQOKSN-OAQYLSRUSA-N
MW400.48 g/mol
LogP4.27
Rot. Bonds6

About 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 29151879) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID29151879
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESO=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C24H24N4O2/c29-22(26-21-11-5-7-16-6-1-2-8-18(16)21)12-13-23-27-28-24(30-23)14-17-15-25-20-10-4-3-9-19(17)20/h1-4,6,8-10,15,21,25H,5,7,11-14H2,(H,26,29)/t21-/m1/s1
InChIKeyUVWISLYVNQOKSN-OAQYLSRUSA-N
XLogP4.27
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51901379
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 29352664
3-(2-hydroxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9437286
[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate
CID 67835728
3-(5-phenyl-1,3-oxazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 51309921
2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 46420164
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9210789
3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[[(1R,2S,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]propanamide
CID 45176266
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 94811628
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51101277
3-(carbamoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 94199738
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 29151879) is 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is UVWISLYVNQOKSN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-22(26-21-11-5-7-16-6-1-2-8-18(16)21)12-13-23-27-28-24(30-23)14-17-15-25-20-10-4-3-9-19(17)20/h1-4,6,8-10,15,21,25H,5,7,11-14H2,(H,26,29)/t21-/m1/s1.
What are the key properties of 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 400.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 29151879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).