3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide

C20H18N4O2 — CID 42534589

IUPAC3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@H](NC(=O)c1nc(Cc2c[nH]c3ccccc23)no1)c1ccccc1
InChIInChI=1S/C20H18N4O2/c1-13(14-7-3-2-4-8-14)22-19(25)20-23-18(24-26-20)11-15-12-21-17-10-6-5-9-16(15)17/h2-10,12-13,21H,11H2,1H3,(H,22,25)/t13-/m0/s1
InChIKeyXKWJEPQVRDRSNZ-ZDUSSCGKSA-N
MW346.39 g/mol
LogP3.63
Rot. Bonds5

About 3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide

3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42534589) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID42534589
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESC[C@H](NC(=O)c1nc(Cc2c[nH]c3ccccc23)no1)c1ccccc1
InChIInChI=1S/C20H18N4O2/c1-13(14-7-3-2-4-8-14)22-19(25)20-23-18(24-26-20)11-15-12-21-17-10-6-5-9-16(15)17/h2-10,12-13,21H,11H2,1H3,(H,22,25)/t13-/m0/s1
InChIKeyXKWJEPQVRDRSNZ-ZDUSSCGKSA-N
XLogP3.63
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-ylmethyl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42582058
3-(1H-indol-3-ylmethyl)-N-(2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42569344
N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42569706
3-(2-anilino-2-oxoethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 39335824
N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41091001
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
2-[2-(1H-indol-3-yl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304866
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
3-[(4-chloropyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082957
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082816

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide (CID 42534589) is 3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide is C[C@H](NC(=O)c1nc(Cc2c[nH]c3ccccc23)no1)c1ccccc1.
What is the InChIKey of 3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is XKWJEPQVRDRSNZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13(14-7-3-2-4-8-14)22-19(25)20-23-18(24-26-20)11-15-12-21-17-10-6-5-9-16(15)17/h2-10,12-13,21H,11H2,1H3,(H,22,25)/t13-/m0/s1.
What are the key properties of 3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide?
3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethyl)-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42534589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).