N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide

C17H18N4O4S — CID 96558035

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H18N4O4S/c22-15(19-13-6-8-26(23,24)10-13)3-4-16-20-17(21-25-16)12-2-1-11-5-7-18-14(11)9-12/h1-2,5,7,9,13,18H,3-4,6,8,10H2,(H,19,22)/t13-/m0/s1
InChIKeyXYISXEMLWZNRIS-ZDUSSCGKSA-N
MW374.42 g/mol
LogP1.45
Rot. Bonds5

About N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 96558035) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID96558035
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H18N4O4S/c22-15(19-13-6-8-26(23,24)10-13)3-4-16-20-17(21-25-16)12-2-1-11-5-7-18-14(11)9-12/h1-2,5,7,9,13,18H,3-4,6,8,10H2,(H,19,22)/t13-/m0/s1
InChIKeyXYISXEMLWZNRIS-ZDUSSCGKSA-N
XLogP1.45
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46559142
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 71706335
N-(1,1-dioxothiolan-3-yl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330731
N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71703336
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide
CID 71705041
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 38017187
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 71701015
N-(1,1-dioxothiolan-3-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 46453480
N-(1H-indol-6-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70779617
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119386389
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119389757
N-cycloheptyl-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42570665

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 96558035) is N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is XYISXEMLWZNRIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O4S/c22-15(19-13-6-8-26(23,24)10-13)3-4-16-20-17(21-25-16)12-2-1-11-5-7-18-14(11)9-12/h1-2,5,7,9,13,18H,3-4,6,8,10H2,(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 374.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 96558035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).