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

C24H25N3O2 — CID 12005265

IUPAC2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2cccc2C2=NC(c3ccccc3)CO2)cc1
InChIInChI=1S/C24H25N3O2/c1-17(2)18-10-12-20(13-11-18)25-23(28)15-27-14-6-9-22(27)24-26-21(16-29-24)19-7-4-3-5-8-19/h3-14,17,21H,15-16H2,1-2H3,(H,25,28)
InChIKeyMNXGXFLGHZCWSZ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.77
Rot. Bonds6

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

2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 12005265) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID12005265
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2cccc2C2=NC(c3ccccc3)CO2)cc1
InChIInChI=1S/C24H25N3O2/c1-17(2)18-10-12-20(13-11-18)25-23(28)15-27-14-6-9-22(27)24-26-21(16-29-24)19-7-4-3-5-8-19/h3-14,17,21H,15-16H2,1-2H3,(H,25,28)
InChIKeyMNXGXFLGHZCWSZ-UHFFFAOYSA-N
XLogP4.77
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
2-iodo-N-(4-propan-2-ylphenyl)acetamide
CID 60723215
2-[(4R)-4-(4-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 99744677
2-[1-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azetidin-3-yl]acetic acid
CID 64618096
N-(4-propan-2-ylphenyl)-2-(2-propylimidazol-1-yl)acetamide
CID 71846694
2-[(4R)-4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 99743733
N-(4-fluorophenyl)-2-[2-(1-hydroxyethyl)pyrrol-1-yl]acetamide
CID 79106625
2-[4-(2-methylphenyl)-2,3-dioxopyrazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30565603
N-(4-propan-2-ylphenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754746
3-phenylsulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 23973484
2-[2-(1-hydroxyethyl)imidazol-1-yl]-N-phenylacetamide
CID 142479688
2-[3-cyclopropyl-5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
CID 31028583

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 12005265) is 2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2cccc2C2=NC(c3ccccc3)CO2)cc1.
What is the InChIKey of 2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is MNXGXFLGHZCWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17(2)18-10-12-20(13-11-18)25-23(28)15-27-14-6-9-22(27)24-26-21(16-29-24)19-7-4-3-5-8-19/h3-14,17,21H,15-16H2,1-2H3,(H,25,28).
What are the key properties of 2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 387.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 12005265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).