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

C15H18N2O4 — CID 3155017

IUPAC2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)NCC1CCCO1
InChIInChI=1S/C15H18N2O4/c18-14(16-8-11-4-3-7-20-11)9-17-12-5-1-2-6-13(12)21-10-15(17)19/h1-2,5-6,11H,3-4,7-10H2,(H,16,18)
InChIKeyPQPIRFQJOWFCGD-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.71
Rot. Bonds4

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

2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3155017) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3155017
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)NCC1CCCO1
InChIInChI=1S/C15H18N2O4/c18-14(16-8-11-4-3-7-20-11)9-17-12-5-1-2-6-13(12)21-10-15(17)19/h1-2,5-6,11H,3-4,7-10H2,(H,16,18)
InChIKeyPQPIRFQJOWFCGD-UHFFFAOYSA-N
XLogP0.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Ethoxyphenyl)piperazine
CID 83357
2H-1,4-benzoxazin-3(4H)-one
CID 72757
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
Rwj-69736
CID 9866614
Rwj-38063
CID 9887378
Rwj-68157
CID 9888164
1-(2-Butoxyphenyl)piperazine
CID 14479837
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
Acetamide, 2-oxo-2-(1-pyrrolidinyl)-N-(2-methoxyphenyl)-
CID 550974
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 3155017) is 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is O=C(CN1C(=O)COc2ccccc21)NCC1CCCO1.
What is the InChIKey of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PQPIRFQJOWFCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(16-8-11-4-3-7-20-11)9-17-12-5-1-2-6-13(12)21-10-15(17)19/h1-2,5-6,11H,3-4,7-10H2,(H,16,18).
What are the key properties of 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzoxazin-4-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3155017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).