2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide

C15H17ClN2O4 — CID 2994400

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)NCC1CCCO1
InChIInChI=1S/C15H17ClN2O4/c16-10-3-4-13-12(6-10)18(15(20)9-22-13)8-14(19)17-7-11-2-1-5-21-11/h3-4,6,11H,1-2,5,7-9H2,(H,17,19)
InChIKeyIWGFOBBKYPCTRW-UHFFFAOYSA-N
MW324.76 g/mol
LogP1.36
Rot. Bonds4

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2994400) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2994400
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)NCC1CCCO1
InChIInChI=1S/C15H17ClN2O4/c16-10-3-4-13-12(6-10)18(15(20)9-22-13)8-14(19)17-7-11-2-1-5-21-11/h3-4,6,11H,1-2,5,7-9H2,(H,17,19)
InChIKeyIWGFOBBKYPCTRW-UHFFFAOYSA-N
XLogP1.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 2994400) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)NCC1CCCO1.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IWGFOBBKYPCTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c16-10-3-4-13-12(6-10)18(15(20)9-22-13)8-14(19)17-7-11-2-1-5-21-11/h3-4,6,11H,1-2,5,7-9H2,(H,17,19).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 324.76 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2994400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).