3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide

C18H19N3O3 — CID 46342878

IUPAC3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc(C(CC(=O)Nc2cc(C)on2)n2cccc2)c1
InChIInChI=1S/C18H19N3O3/c1-13-10-17(20-24-13)19-18(22)12-16(21-8-3-4-9-21)14-6-5-7-15(11-14)23-2/h3-11,16H,12H2,1-2H3,(H,19,20,22)
InChIKeySDXDGNDUHRUHIQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.41
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide

3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide (PubChem CID 46342878) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide
PubChem CID46342878
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide
SMILESCOc1cccc(C(CC(=O)Nc2cc(C)on2)n2cccc2)c1
InChIInChI=1S/C18H19N3O3/c1-13-10-17(20-24-13)19-18(22)12-16(21-8-3-4-9-21)14-6-5-7-15(11-14)23-2/h3-11,16H,12H2,1-2H3,(H,19,20,22)
InChIKeySDXDGNDUHRUHIQ-UHFFFAOYSA-N
XLogP3.41
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709504
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594
(3R)-N-(5-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709525
N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 46342870
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709595
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709355
3-(3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 109039607
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide (CID 46342878) is 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide is COc1cccc(C(CC(=O)Nc2cc(C)on2)n2cccc2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide?
The InChIKey is SDXDGNDUHRUHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-10-17(20-24-13)19-18(22)12-16(21-8-3-4-9-21)14-6-5-7-15(11-14)23-2/h3-11,16H,12H2,1-2H3,(H,19,20,22).
What are the key properties of 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide?
3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide has a molecular weight of 325.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).