N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide

C21H18N2O5 — CID 9146393

IUPACN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESC[C@@H]1Oc2ccc(NC(=O)c3ccc(COc4ccccc4)o3)cc2NC1=O
InChIInChI=1S/C21H18N2O5/c1-13-20(24)23-17-11-14(7-9-18(17)27-13)22-21(25)19-10-8-16(28-19)12-26-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyLOKAXPYEYABENQ-ZDUSSCGKSA-N
MW378.38 g/mol
LogP3.83
Rot. Bonds5

About N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide

N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 9146393) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID9146393
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC NameN-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESC[C@@H]1Oc2ccc(NC(=O)c3ccc(COc4ccccc4)o3)cc2NC1=O
InChIInChI=1S/C21H18N2O5/c1-13-20(24)23-17-11-14(7-9-18(17)27-13)22-21(25)19-10-8-16(28-19)12-26-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyLOKAXPYEYABENQ-ZDUSSCGKSA-N
XLogP3.83
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 46516497
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-phenylbenzamide
CID 9145109
2-hydroxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129767
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N-[2-[[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 9145419
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-propoxybenzamide
CID 35574928
3-methoxy-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]naphthalene-2-carboxamide
CID 9145079
2-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 40810154
2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17413196
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide (CID 9146393) is N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide is C[C@@H]1Oc2ccc(NC(=O)c3ccc(COc4ccccc4)o3)cc2NC1=O.
What is the InChIKey of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is LOKAXPYEYABENQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-13-20(24)23-17-11-14(7-9-18(17)27-13)22-21(25)19-10-8-16(28-19)12-26-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,22,25)(H,23,24)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide?
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 9146393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).