N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide

C20H16ClFN4O3 — CID 167046824

IUPACN-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CO)c2nc(-c3c[nH]c4ccc(Cl)cc34)no2)c(F)c1
InChIInChI=1S/C20H16ClFN4O3/c1-10-2-4-12(15(22)6-10)19(28)24-17(9-27)20-25-18(26-29-20)14-8-23-16-5-3-11(21)7-13(14)16/h2-8,17,23,27H,9H2,1H3,(H,24,28)
InChIKeyMWZZVBJDDWQJEP-UHFFFAOYSA-N
MW414.82 g/mol
LogP3.78
Rot. Bonds5

About N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide

N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide (PubChem CID 167046824) has the molecular formula C20H16ClFN4O3 and a molecular weight of 414.82 g/mol. Its IUPAC name is N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
PubChem CID167046824
Molecular FormulaC20H16ClFN4O3
Molecular Weight414.82 g/mol
Exact Mass414.09
IUPAC NameN-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(CO)c2nc(-c3c[nH]c4ccc(Cl)cc34)no2)c(F)c1
InChIInChI=1S/C20H16ClFN4O3/c1-10-2-4-12(15(22)6-10)19(28)24-17(9-27)20-25-18(26-29-20)14-8-23-16-5-3-11(21)7-13(14)16/h2-8,17,23,27H,9H2,1H3,(H,24,28)
InChIKeyMWZZVBJDDWQJEP-UHFFFAOYSA-N
XLogP3.78
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-5-methylpyridine-2-carboxamide
CID 167046507
4-fluoro-N-[(1S)-2-hydroxy-1-[3-(5-methoxy-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 137026771
4-fluoro-N-[2-hydroxy-1-[3-[3-(2,2,2-trifluoroacetyl)-1H-indol-6-yl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 134205355
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]-4-methylbenzamide
CID 51064975
4-fluoro-N-[1-[3-(5-fluoro-1H-indol-2-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]benzamide
CID 137313447
5-chloro-N-[2-hydroxy-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyridine-2-carboxamide
CID 134327134
4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
CID 134205371
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
N-(2-chloro-1-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114300235
N-[1-(3-chlorophenyl)propyl]-2-fluoro-5-methylbenzamide
CID 62511498
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide (CID 167046824) is N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NC(CO)c2nc(-c3c[nH]c4ccc(Cl)cc34)no2)c(F)c1.
What is the InChIKey of N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide?
The InChIKey is MWZZVBJDDWQJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O3/c1-10-2-4-12(15(22)6-10)19(28)24-17(9-27)20-25-18(26-29-20)14-8-23-16-5-3-11(21)7-13(14)16/h2-8,17,23,27H,9H2,1H3,(H,24,28).
What are the key properties of N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide?
N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide has a molecular weight of 414.82 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-chloro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-2-hydroxyethyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 167046824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).