2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide

C21H24N2O3 — CID 11198965

IUPAC2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C21H24N2O3/c1-3-12-22(13-4-2)20(24)15-23-18-14-17(16-8-6-5-7-9-16)10-11-19(18)26-21(23)25/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeyCREZVEBWPAIMPN-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.91
Rot. Bonds7

About 2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide

2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide (PubChem CID 11198965) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide
PubChem CID11198965
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C21H24N2O3/c1-3-12-22(13-4-2)20(24)15-23-18-14-17(16-8-6-5-7-9-16)10-11-19(18)26-21(23)25/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeyCREZVEBWPAIMPN-UHFFFAOYSA-N
XLogP3.91
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide (CID 11198965) is 2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1c(=O)oc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide?
The InChIKey is CREZVEBWPAIMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-12-22(13-4-2)20(24)15-23-18-14-17(16-8-6-5-7-9-16)10-11-19(18)26-21(23)25/h5-11,14H,3-4,12-13,15H2,1-2H3.
What are the key properties of 2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide?
2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide has a molecular weight of 352.43 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-5-phenyl-1,3-benzoxazol-3-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 11198965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).