N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide

C19H15ClN4O3 — CID 9179002

IUPACN-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(Cc2nnc(-c3ccccc3)o2)c2c(Cl)cccc21
InChIInChI=1S/C19H15ClN4O3/c1-11(25)21-16-13-8-5-9-14(20)17(13)24(19(16)26)10-15-22-23-18(27-15)12-6-3-2-4-7-12/h2-9,16H,10H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyHOFILVOHFRAVFY-INIZCTEOSA-N
MW382.81 g/mol
LogP3.11
Rot. Bonds4

About N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide

N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide (PubChem CID 9179002) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide
PubChem CID9179002
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC NameN-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(Cc2nnc(-c3ccccc3)o2)c2c(Cl)cccc21
InChIInChI=1S/C19H15ClN4O3/c1-11(25)21-16-13-8-5-9-14(20)17(13)24(19(16)26)10-15-22-23-18(27-15)12-6-3-2-4-7-12/h2-9,16H,10H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyHOFILVOHFRAVFY-INIZCTEOSA-N
XLogP3.11
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide
CID 9178801
N-[(3S)-1-butyl-7-chloro-2-oxo-3H-indol-3-yl]acetamide
CID 9179013
7'-chloro-1'-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]spiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 9178192
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-methyl-2-oxo-3H-indol-3-yl]acetamide
CID 7447280
N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 9434359
N-[(2-chlorophenyl)methyl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 52906292
6-chloro-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-benzoxazin-3-one
CID 3163340
N-[(3R)-4,7-dichloro-1-ethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9179124
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
(3aR,7aR)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2540595
methyl (2S,3aR,7aS)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 94446641
N-[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]benzamide
CID 16580752

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide (CID 9179002) is N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(Cc2nnc(-c3ccccc3)o2)c2c(Cl)cccc21.
What is the InChIKey of N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide?
The InChIKey is HOFILVOHFRAVFY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-11(25)21-16-13-8-5-9-14(20)17(13)24(19(16)26)10-15-22-23-18(27-15)12-6-3-2-4-7-12/h2-9,16H,10H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide?
N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide has a molecular weight of 382.81 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-7-chloro-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9179002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).