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

C21H23N3O2 — CID 51100801

IUPACN-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C21H23N3O2/c1-15-19(23-21(26-15)17-9-5-4-6-10-17)13-20(25)22-14-16-8-7-11-18(12-16)24(2)3/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyHFAQUJRZSSFWHO-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.57
Rot. Bonds6

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

N-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 51100801) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID51100801
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCc1oc(-c2ccccc2)nc1CC(=O)NCc1cccc(N(C)C)c1
InChIInChI=1S/C21H23N3O2/c1-15-19(23-21(26-15)17-9-5-4-6-10-17)13-20(25)22-14-16-8-7-11-18(12-16)24(2)3/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyHFAQUJRZSSFWHO-UHFFFAOYSA-N
XLogP3.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 51100801) is N-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is Cc1oc(-c2ccccc2)nc1CC(=O)NCc1cccc(N(C)C)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is HFAQUJRZSSFWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-19(23-21(26-15)17-9-5-4-6-10-17)13-20(25)22-14-16-8-7-11-18(12-16)24(2)3/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 51100801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).