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

C18H20N4O3 — CID 53114517

IUPAC2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)NCc2ccc(OC)cc2)o1
InChIInChI=1S/C18H20N4O3/c1-3-17-20-21-18(25-17)15-5-4-10-22(15)12-16(23)19-11-13-6-8-14(24-2)9-7-13/h4-10H,3,11-12H2,1-2H3,(H,19,23)
InChIKeyHRMQETAXFZPHDY-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.43
Rot. Bonds7

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

2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 53114517) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID53114517
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1nnc(-c2cccn2CC(=O)NCc2ccc(OC)cc2)o1
InChIInChI=1S/C18H20N4O3/c1-3-17-20-21-18(25-17)15-5-4-10-22(15)12-16(23)19-11-13-6-8-14(24-2)9-7-13/h4-10H,3,11-12H2,1-2H3,(H,19,23)
InChIKeyHRMQETAXFZPHDY-UHFFFAOYSA-N
XLogP2.43
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
CID 53114528
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(4-ethylphenyl)acetamide
CID 53114515
N-[(4-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527010
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 53114498
N-[(3-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527011
2-(7-methoxyindol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 39348357
N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334732
2-(1,3-dioxoisoindol-2-yl)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110320126
N-benzyl-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide
CID 75527035
N-[(4-fluorophenyl)methyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842332
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 46395148

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 53114517) is 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is CCc1nnc(-c2cccn2CC(=O)NCc2ccc(OC)cc2)o1.
What is the InChIKey of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is HRMQETAXFZPHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-17-20-21-18(25-17)15-5-4-10-22(15)12-16(23)19-11-13-6-8-14(24-2)9-7-13/h4-10H,3,11-12H2,1-2H3,(H,19,23).
What are the key properties of 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53114517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).