N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

C18H21N5O2 — CID 42582555

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C18H21N5O2/c1-2-23-9-3-4-14(23)11-20-17(24)18-21-16(22-25-18)13-6-5-12-7-8-19-15(12)10-13/h5-8,10,14,19H,2-4,9,11H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyHLPMFRSGRRAHOU-CQSZACIVSA-N
MW339.40 g/mol
LogP2.43
Rot. Bonds5

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42582555) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID42582555
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C18H21N5O2/c1-2-23-9-3-4-14(23)11-20-17(24)18-21-16(22-25-18)13-6-5-12-7-8-19-15(12)10-13/h5-8,10,14,19H,2-4,9,11H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyHLPMFRSGRRAHOU-CQSZACIVSA-N
XLogP2.43
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(azepan-1-yl)phenyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95057371
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-oxo-4-propyl-1,4-benzoxazin-7-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53139041
N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 45369668
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92895804
N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42534928
3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42568930
3-[2-(benzylamino)-2-oxoethyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45490962
N-[(1-ethylpyrrolidin-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 43403017
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 42651602
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-1H-pyrrole-2-carboxamide
CID 135527123
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 71705371

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide (CID 42582555) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HLPMFRSGRRAHOU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-23-9-3-4-14(23)11-20-17(24)18-21-16(22-25-18)13-6-5-12-7-8-19-15(12)10-13/h5-8,10,14,19H,2-4,9,11H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42582555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).