N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide

C14H14N2O3 — CID 110639535

IUPACN-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
SMILESCN1CCOc2ccc(NC(=O)c3ccco3)cc21
InChIInChI=1S/C14H14N2O3/c1-16-6-8-19-12-5-4-10(9-11(12)16)15-14(17)13-3-2-7-18-13/h2-5,7,9H,6,8H2,1H3,(H,15,17)
InChIKeySRGDWYQQUSMKJS-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.36
Rot. Bonds2

About N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide

N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide (PubChem CID 110639535) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
PubChem CID110639535
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
SMILESCN1CCOc2ccc(NC(=O)c3ccco3)cc21
InChIInChI=1S/C14H14N2O3/c1-16-6-8-19-12-5-4-10(9-11(12)16)15-14(17)13-3-2-7-18-13/h2-5,7,9H,6,8H2,1H3,(H,15,17)
InChIKeySRGDWYQQUSMKJS-UHFFFAOYSA-N
XLogP2.36
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110639571
2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 167856806
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 110639536
4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110744732
2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
CID 110639583
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide
CID 46394434
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
CID 7517878

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide?
The IUPAC name of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide (CID 110639535) is N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide?
The canonical SMILES for N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide is CN1CCOc2ccc(NC(=O)c3ccco3)cc21.
What is the InChIKey of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide?
The InChIKey is SRGDWYQQUSMKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-16-6-8-19-12-5-4-10(9-11(12)16)15-14(17)13-3-2-7-18-13/h2-5,7,9H,6,8H2,1H3,(H,15,17).
What are the key properties of N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide?
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 110639535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).