N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

C17H20N4O3 — CID 53167812

IUPACN-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cn2c(n1)COCC2
InChIInChI=1S/C17H20N4O3/c22-17(15-11-21-7-10-24-12-16(21)19-15)18-13-1-3-14(4-2-13)20-5-8-23-9-6-20/h1-4,11H,5-10,12H2,(H,18,22)
InChIKeyKRGCVQLCGULEJP-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.50
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 53167812) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID53167812
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cn2c(n1)COCC2
InChIInChI=1S/C17H20N4O3/c22-17(15-11-21-7-10-24-12-16(21)19-15)18-13-1-3-14(4-2-13)20-5-8-23-9-6-20/h1-4,11H,5-10,12H2,(H,18,22)
InChIKeyKRGCVQLCGULEJP-UHFFFAOYSA-N
XLogP1.50
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (CID 53167812) is N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cn2c(n1)COCC2.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is KRGCVQLCGULEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-17(15-11-21-7-10-24-12-16(21)19-15)18-13-1-3-14(4-2-13)20-5-8-23-9-6-20/h1-4,11H,5-10,12H2,(H,18,22).
What are the key properties of N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 53167812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).