N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide

C16H20N2O4 — CID 110783702

IUPACN-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide
SMILESCC1Oc2ccc(CNC(=O)C3CCCO3)cc2N(C)C1=O
InChIInChI=1S/C16H20N2O4/c1-10-16(20)18(2)12-8-11(5-6-13(12)22-10)9-17-15(19)14-4-3-7-21-14/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyBPUJGYNFDSJZBP-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.23
Rot. Bonds3

About N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide

N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide (PubChem CID 110783702) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide
PubChem CID110783702
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide
SMILESCC1Oc2ccc(CNC(=O)C3CCCO3)cc2N(C)C1=O
InChIInChI=1S/C16H20N2O4/c1-10-16(20)18(2)12-8-11(5-6-13(12)22-10)9-17-15(19)14-4-3-7-21-14/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,17,19)
InChIKeyBPUJGYNFDSJZBP-UHFFFAOYSA-N
XLogP1.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]oxolane-2-carboxamide
CID 110785343
2-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methylamino]acetic acid
CID 82501420
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[2-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110790097
N-[[3-(hydroxymethyl)phenyl]methyl]oxolane-2-carboxamide
CID 63311174
N-[(3-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2971265
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 47042015
(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 94616637
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide (CID 110783702) is N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide is CC1Oc2ccc(CNC(=O)C3CCCO3)cc2N(C)C1=O.
What is the InChIKey of N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide?
The InChIKey is BPUJGYNFDSJZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10-16(20)18(2)12-8-11(5-6-13(12)22-10)9-17-15(19)14-4-3-7-21-14/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide?
N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110783702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).