N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide

C19H20N2O3 — CID 110774001

IUPACN-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C19H20N2O3/c1-13(2)21(12-14-6-4-3-5-7-14)18(22)11-15-8-9-17-16(10-15)20-19(23)24-17/h3-10,13H,11-12H2,1-2H3,(H,20,23)
InChIKeyZJWNTOZICLHSHQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.10
Rot. Bonds5

About N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide

N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide (PubChem CID 110774001) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
PubChem CID110774001
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C19H20N2O3/c1-13(2)21(12-14-6-4-3-5-7-14)18(22)11-15-8-9-17-16(10-15)20-19(23)24-17/h3-10,13H,11-12H2,1-2H3,(H,20,23)
InChIKeyZJWNTOZICLHSHQ-UHFFFAOYSA-N
XLogP3.10
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-phenylacetamide
CID 110774013
N-benzyl-2-(2-methyl-1,3-benzoxazol-6-yl)-N-propan-2-ylacetamide
CID 110771979
N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide
CID 110769169
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
2-methyl-3-[methyl-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]amino]propanoic acid
CID 115219509
N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 110700056
N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760655
N-methyl-2-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]propanamide
CID 115175819
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
2-amino-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoic acid;hydrochloride
CID 70618768
N-(2-chlorophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774027
N-(2-bromophenyl)-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110774064

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide (CID 110774001) is N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)Cc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide?
The InChIKey is ZJWNTOZICLHSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(2)21(12-14-6-4-3-5-7-14)18(22)11-15-8-9-17-16(10-15)20-19(23)24-17/h3-10,13H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide?
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide has a molecular weight of 324.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 110774001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).