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

C22H21N3O2 — CID 6619248

IUPACN-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide
SMILESCN(C(=O)Cn1cccc1C1=NC(c2ccccc2)CO1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-24(18-11-6-3-7-12-18)21(26)15-25-14-8-13-20(25)22-23-19(16-27-22)17-9-4-2-5-10-17/h2-14,19H,15-16H2,1H3
InChIKeyMUFANOZNTRPWEK-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.67
Rot. Bonds5

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

N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 6619248) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID6619248
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide
SMILESCN(C(=O)Cn1cccc1C1=NC(c2ccccc2)CO1)c1ccccc1
InChIInChI=1S/C22H21N3O2/c1-24(18-11-6-3-7-12-18)21(26)15-25-14-8-13-20(25)22-23-19(16-27-22)17-9-4-2-5-10-17/h2-14,19H,15-16H2,1H3
InChIKeyMUFANOZNTRPWEK-UHFFFAOYSA-N
XLogP3.67
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide (CID 6619248) is N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide is CN(C(=O)Cn1cccc1C1=NC(c2ccccc2)CO1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is MUFANOZNTRPWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-24(18-11-6-3-7-12-18)21(26)15-25-14-8-13-20(25)22-23-19(16-27-22)17-9-4-2-5-10-17/h2-14,19H,15-16H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide?
N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 6619248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).