3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

C19H22N4O3 — CID 110205242

IUPAC3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)CCn2c(C)ccc2C)cc1-c1nnc(C)o1
InChIInChI=1S/C19H22N4O3/c1-12-5-6-13(2)23(12)10-9-18(24)20-15-7-8-17(25-4)16(11-15)19-22-21-14(3)26-19/h5-8,11H,9-10H2,1-4H3,(H,20,24)
InChIKeyMZWXVUROAJOKPE-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.50
Rot. Bonds6

About 3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 110205242) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID110205242
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCOc1ccc(NC(=O)CCn2c(C)ccc2C)cc1-c1nnc(C)o1
InChIInChI=1S/C19H22N4O3/c1-12-5-6-13(2)23(12)10-9-18(24)20-15-7-8-17(25-4)16(11-15)19-22-21-14(3)26-19/h5-8,11H,9-10H2,1-4H3,(H,20,24)
InChIKeyMZWXVUROAJOKPE-UHFFFAOYSA-N
XLogP3.50
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
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N-(4-methoxy-3-methylphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 110205242) is 3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is COc1ccc(NC(=O)CCn2c(C)ccc2C)cc1-c1nnc(C)o1.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is MZWXVUROAJOKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-5-6-13(2)23(12)10-9-18(24)20-15-7-8-17(25-4)16(11-15)19-22-21-14(3)26-19/h5-8,11H,9-10H2,1-4H3,(H,20,24).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 354.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 110205242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).