N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

C21H17ClN4O3 — CID 135970455

IUPACN-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(NC(=O)CCc2nc(-c3cc4ccccc4[nH]c3=O)no2)cc1Cl
InChIInChI=1S/C21H17ClN4O3/c1-12-6-7-14(11-16(12)22)23-18(27)8-9-19-25-20(26-29-19)15-10-13-4-2-3-5-17(13)24-21(15)28/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H,24,28)
InChIKeyGUXAOTONOFMSOZ-UHFFFAOYSA-N
MW408.85 g/mol
LogP4.11
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 135970455) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID135970455
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC NameN-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccc(NC(=O)CCc2nc(-c3cc4ccccc4[nH]c3=O)no2)cc1Cl
InChIInChI=1S/C21H17ClN4O3/c1-12-6-7-14(11-16(12)22)23-18(27)8-9-19-25-20(26-29-19)15-10-13-4-2-3-5-17(13)24-21(15)28/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H,24,28)
InChIKeyGUXAOTONOFMSOZ-UHFFFAOYSA-N
XLogP4.11
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330752
N-(3-chloro-4-methylphenyl)-3-[3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50748237
N-(3-chloro-4-methylphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26688026
N-[(2-methoxyphenyl)methyl]-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 135970460
N-(3-chloro-4-fluorophenyl)-3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100757710
N-(3,5-dimethylphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 135896856
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylbutanamide
CID 135896861
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 135970382
3-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 135970417
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-fluorophenyl)propanamide
CID 17101530
N-(4-methoxyphenyl)-4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 135896838
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17344112

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 135970455) is N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccc(NC(=O)CCc2nc(-c3cc4ccccc4[nH]c3=O)no2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is GUXAOTONOFMSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-12-6-7-14(11-16(12)22)23-18(27)8-9-19-25-20(26-29-19)15-10-13-4-2-3-5-17(13)24-21(15)28/h2-7,10-11H,8-9H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 408.85 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-[3-(2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 135970455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).