(2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide

C22H25N5O4 — CID 5470104

IUPAC(2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide
SMILESO=C(/N=C1\OC(CN2CCOCC2)CN1C(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C22H25N5O4/c28-20(23-17-7-3-1-4-8-17)25-22-27(21(29)24-18-9-5-2-6-10-18)16-19(31-22)15-26-11-13-30-14-12-26/h1-10,19H,11-16H2,(H,23,28)(H,24,29)/b25-22-
InChIKeyJEIGRPZHZAVGHD-LVWGJNHUSA-N
MW423.47 g/mol
LogP2.84
Rot. Bonds4

About (2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide

(2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide (PubChem CID 5470104) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is (2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide
PubChem CID5470104
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name(2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide
SMILESO=C(/N=C1\OC(CN2CCOCC2)CN1C(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C22H25N5O4/c28-20(23-17-7-3-1-4-8-17)25-22-27(21(29)24-18-9-5-2-6-10-18)16-19(31-22)15-26-11-13-30-14-12-26/h1-10,19H,11-16H2,(H,23,28)(H,24,29)/b25-22-
InChIKeyJEIGRPZHZAVGHD-LVWGJNHUSA-N
XLogP2.84
TPSA95.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide (CID 5470104) is (2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide is O=C(/N=C1\OC(CN2CCOCC2)CN1C(=O)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of (2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide?
The InChIKey is JEIGRPZHZAVGHD-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H25N5O4/c28-20(23-17-7-3-1-4-8-17)25-22-27(21(29)24-18-9-5-2-6-10-18)16-19(31-22)15-26-11-13-30-14-12-26/h1-10,19H,11-16H2,(H,23,28)(H,24,29)/b25-22-.
What are the key properties of (2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide?
(2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 5470104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).