2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C21H22N2O3 — CID 155149410

IUPAC2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COCCC(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C21H22N2O3/c1-16-14-20(23-26-16)22-21(24)15-25-13-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14,19H,12-13,15H2,1H3,(H,22,23,24)
InChIKeyIKKRXJNGMBSPED-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.16
Rot. Bonds8

About 2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 155149410) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID155149410
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COCCC(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C21H22N2O3/c1-16-14-20(23-26-16)22-21(24)15-25-13-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14,19H,12-13,15H2,1H3,(H,22,23,24)
InChIKeyIKKRXJNGMBSPED-UHFFFAOYSA-N
XLogP4.16
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 80723767
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 17393371
N-(5-methyl-1,2-oxazol-3-yl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150936
benzhydryl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466638
1-(2-methoxy-2-phenylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47021762
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenoxyethylsulfanyl)-2-phenylacetamide
CID 51926728
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[(3R)-3-phenylbutyl]acetamide
CID 52514427
2-[carboxymethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]acetic acid
CID 55245946
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7762657
1-[2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 18101864

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 155149410) is 2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)COCCC(c2ccccc2)c2ccccc2)no1.
What is the InChIKey of 2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is IKKRXJNGMBSPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-16-14-20(23-26-16)22-21(24)15-25-13-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,14,19H,12-13,15H2,1H3,(H,22,23,24).
What are the key properties of 2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diphenylpropoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 155149410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).