N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide

C23H23N3O2 — CID 6619408

IUPACN-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1cccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C23H23N3O2/c1-2-17-9-6-7-12-19(17)24-22(27)15-26-14-8-13-21(26)23-25-20(16-28-23)18-10-4-3-5-11-18/h3-14,20H,2,15-16H2,1H3,(H,24,27)
InChIKeyGKWGNJBTYWMRIV-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.21
Rot. Bonds6

About N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide

N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 6619408) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID6619408
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1cccc1C1=NC(c2ccccc2)CO1
InChIInChI=1S/C23H23N3O2/c1-2-17-9-6-7-12-19(17)24-22(27)15-26-14-8-13-21(26)23-25-20(16-28-23)18-10-4-3-5-11-18/h3-14,20H,2,15-16H2,1H3,(H,24,27)
InChIKeyGKWGNJBTYWMRIV-UHFFFAOYSA-N
XLogP4.21
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide (CID 6619408) is N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide is CCc1ccccc1NC(=O)Cn1cccc1C1=NC(c2ccccc2)CO1.
What is the InChIKey of N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is GKWGNJBTYWMRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-2-17-9-6-7-12-19(17)24-22(27)15-26-14-8-13-21(26)23-25-20(16-28-23)18-10-4-3-5-11-18/h3-14,20H,2,15-16H2,1H3,(H,24,27).
What are the key properties of N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide?
N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 6619408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).