N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide

C19H16ClN3O6S — CID 123666501

IUPACN-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)s1)C1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OCC12
InChIInChI=1S/C19H16ClN3O6S/c20-14-3-4-15(30-14)21-18(25)17-12-8-28-13-7-10(22-5-6-27-9-16(22)24)1-2-11(13)23(12)19(26)29-17/h1-4,7,12,17H,5-6,8-9H2,(H,21,25)
InChIKeyIKAIYXKHSIVBTO-UHFFFAOYSA-N
MW449.87 g/mol
LogP2.49
Rot. Bonds3

About N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide

N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide (PubChem CID 123666501) has the molecular formula C19H16ClN3O6S and a molecular weight of 449.87 g/mol. Its IUPAC name is N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide
PubChem CID123666501
Molecular FormulaC19H16ClN3O6S
Molecular Weight449.87 g/mol
Exact Mass449.04
IUPAC NameN-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)s1)C1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OCC12
InChIInChI=1S/C19H16ClN3O6S/c20-14-3-4-15(30-14)21-18(25)17-12-8-28-13-7-10(22-5-6-27-9-16(22)24)1-2-11(13)23(12)19(26)29-17/h1-4,7,12,17H,5-6,8-9H2,(H,21,25)
InChIKeyIKAIYXKHSIVBTO-UHFFFAOYSA-N
XLogP2.49
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.87
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide?
The IUPAC name of N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide (CID 123666501) is N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide.
What is the SMILES notation for N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide?
The canonical SMILES for N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide is O=C(Nc1ccc(Cl)s1)C1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OCC12.
What is the InChIKey of N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide?
The InChIKey is IKAIYXKHSIVBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O6S/c20-14-3-4-15(30-14)21-18(25)17-12-8-28-13-7-10(22-5-6-27-9-16(22)24)1-2-11(13)23(12)19(26)29-17/h1-4,7,12,17H,5-6,8-9H2,(H,21,25).
What are the key properties of N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide?
N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide has a molecular weight of 449.87 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide is sourced from PubChem (CID 123666501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).