N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide

C21H18N4O3 — CID 75526963

IUPACN-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C21H18N4O3/c1-27-17-10-5-9-16(13-17)22-19(26)14-25-12-6-11-18(25)21-23-20(24-28-21)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,26)
InChIKeyQKRUNSZOBOQXKF-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.85
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide

N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide (PubChem CID 75526963) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
PubChem CID75526963
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C21H18N4O3/c1-27-17-10-5-9-16(13-17)22-19(26)14-25-12-6-11-18(25)21-23-20(24-28-21)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,26)
InChIKeyQKRUNSZOBOQXKF-UHFFFAOYSA-N
XLogP3.85
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide 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-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527011
N-[(4-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527010
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 30849405
N-(2-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526974
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50925942
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6463833
N-(2-ethoxyphenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
CID 75527043
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
2-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetic acid
CID 94069111
N-(3-methoxyphenyl)-2-[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53177946

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide (CID 75526963) is N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide is COc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
The InChIKey is QKRUNSZOBOQXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-17-10-5-9-16(13-17)22-19(26)14-25-12-6-11-18(25)21-23-20(24-28-21)15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,22,26).
What are the key properties of N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 75526963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).