2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide

C15H21N3O3 — CID 67786799

IUPAC2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
SMILESCCN(CC)CC(=O)NCCc1nc2c(o1)CC(=O)C=C2
InChIInChI=1S/C15H21N3O3/c1-3-18(4-2)10-14(20)16-8-7-15-17-12-6-5-11(19)9-13(12)21-15/h5-6H,3-4,7-10H2,1-2H3,(H,16,20)
InChIKeySKAPXLIMDQPFGI-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.81
Rot. Bonds7

About 2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide

2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide (PubChem CID 67786799) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
PubChem CID67786799
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide
SMILESCCN(CC)CC(=O)NCCc1nc2c(o1)CC(=O)C=C2
InChIInChI=1S/C15H21N3O3/c1-3-18(4-2)10-14(20)16-8-7-15-17-12-6-5-11(19)9-13(12)21-15/h5-6H,3-4,7-10H2,1-2H3,(H,16,20)
InChIKeySKAPXLIMDQPFGI-UHFFFAOYSA-N
XLogP0.81
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide (CID 67786799) is 2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide is CCN(CC)CC(=O)NCCc1nc2c(o1)CC(=O)C=C2.
What is the InChIKey of 2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
The InChIKey is SKAPXLIMDQPFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-18(4-2)10-14(20)16-8-7-15-17-12-6-5-11(19)9-13(12)21-15/h5-6H,3-4,7-10H2,1-2H3,(H,16,20).
What are the key properties of 2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide?
2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 67786799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).