(2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one

C18H14N4O2S — CID 41176936

IUPAC(2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
SMILESC[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H14N4O2S/c1-11(16(23)14-10-20-15-5-3-2-4-13(14)15)25-18-22-21-17(24-18)12-6-8-19-9-7-12/h2-11,20H,1H3/t11-/m0/s1
InChIKeyNYIPVYWJJLZCKC-NSHDSACASA-N
MW350.40 g/mol
LogP3.98
Rot. Bonds5

About (2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one

(2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one (PubChem CID 41176936) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is (2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
PubChem CID41176936
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name(2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
SMILESC[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H14N4O2S/c1-11(16(23)14-10-20-15-5-3-2-4-13(14)15)25-18-22-21-17(24-18)12-6-8-19-9-7-12/h2-11,20H,1H3/t11-/m0/s1
InChIKeyNYIPVYWJJLZCKC-NSHDSACASA-N
XLogP3.98
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one
CID 9362138
(2S)-1-(1H-indol-3-yl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylethanone
CID 40847092
(2R)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 1170468
1-(1H-indol-3-yl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 55602991
(2R)-1-(1H-indol-3-yl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7800747
(2S)-N-[(4-fluorophenyl)methyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 92736148
(2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one
CID 7964667
(2S)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxyphenyl)propanamide
CID 135569636
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
(2S)-1-[4-(difluoromethoxy)phenyl]-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 27307262
(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 135778028

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one?
The IUPAC name of (2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one (CID 41176936) is (2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one.
What is the SMILES notation for (2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one?
The canonical SMILES for (2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one is C[C@H](Sc1nnc(-c2ccncc2)o1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one?
The InChIKey is NYIPVYWJJLZCKC-NSHDSACASA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-11(16(23)14-10-20-15-5-3-2-4-13(14)15)25-18-22-21-17(24-18)12-6-8-19-9-7-12/h2-11,20H,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one?
(2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one has a molecular weight of 350.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one is sourced from PubChem (CID 41176936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).