(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide

C20H18N4O3S — CID 135569636

IUPAC(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C20H18N4O3S/c1-12(18(25)22-13-6-5-7-14(10-13)26-2)28-20-24-23-19(27-20)16-11-21-17-9-4-3-8-15(16)17/h3-12,21H,1-2H3,(H,22,25)/t12-/m0/s1
InChIKeyITSFQSPGOAYIDB-LBPRGKRZSA-N
MW394.46 g/mol
LogP4.35
Rot. Bonds6

About (2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide

(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide (PubChem CID 135569636) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is (2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide
PubChem CID135569636
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c1
InChIInChI=1S/C20H18N4O3S/c1-12(18(25)22-13-6-5-7-14(10-13)26-2)28-20-24-23-19(27-20)16-11-21-17-9-4-3-8-15(16)17/h3-12,21H,1-2H3,(H,22,25)/t12-/m0/s1
InChIKeyITSFQSPGOAYIDB-LBPRGKRZSA-N
XLogP4.35
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4817204
(2R)-N-(4-fluorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 135763679
N-(4-bromophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4815017
N-(2,4-dichlorophenyl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 135710088
(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 135916160
N-benzyl-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4815016
(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 135778026
N'-[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide
CID 135798288
2-[[(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 135588084
N-(3-chlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78765954
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-phenoxyphenyl)acetamide
CID 2463440
N-(3-cyanophenyl)-2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 18286458

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide (CID 135569636) is (2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)o2)c1.
What is the InChIKey of (2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is ITSFQSPGOAYIDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-12(18(25)22-13-6-5-7-14(10-13)26-2)28-20-24-23-19(27-20)16-11-21-17-9-4-3-8-15(16)17/h3-12,21H,1-2H3,(H,22,25)/t12-/m0/s1.
What are the key properties of (2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide?
(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 394.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 135569636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).