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

C22H20N4O3 — CID 75527011

IUPACN-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C22H20N4O3/c1-28-18-10-5-7-16(13-18)14-23-20(27)15-26-12-6-11-19(26)22-24-21(25-29-22)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,23,27)
InChIKeyDRXHVODSISQQLY-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.53
Rot. Bonds7

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

N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide (PubChem CID 75527011) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
PubChem CID75527011
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C22H20N4O3/c1-28-18-10-5-7-16(13-18)14-23-20(27)15-26-12-6-11-19(26)22-24-21(25-29-22)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,23,27)
InChIKeyDRXHVODSISQQLY-UHFFFAOYSA-N
XLogP3.53
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527010
N-(3-methoxyphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526963
N-benzyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
CID 75527035
N-benzyl-2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032489
N-[(3-methoxyphenyl)methyl]-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833391
N-[(3-methoxyphenyl)methyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 49153048
N-[(3-methoxyphenyl)methyl]-2-[7-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833394
N-(2-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75526974
2-[[4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53128018
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50925942
N-[(4-methoxyphenyl)methyl]-2-[3-oxo-8-(3-phenyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2-yl]acetamide
CID 50841096

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide (CID 75527011) is N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide is COc1cccc(CNC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
The InChIKey is DRXHVODSISQQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-18-10-5-7-16(13-18)14-23-20(27)15-26-12-6-11-19(26)22-24-21(25-29-22)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,23,27).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide?
N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide has a molecular weight of 388.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 75527011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).