methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate

C18H21N3O5 — CID 2741291

IUPACmethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(=O)c2c(C)noc2C)ccc1N1CCOCC1
InChIInChI=1S/C18H21N3O5/c1-11-16(12(2)26-20-11)17(22)19-13-4-5-15(14(10-13)18(23)24-3)21-6-8-25-9-7-21/h4-5,10H,6-9H2,1-3H3,(H,19,22)
InChIKeyVIABPOWITCRRCD-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.17
Rot. Bonds4

About methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate

methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate (PubChem CID 2741291) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate
PubChem CID2741291
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Namemethyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(=O)c2c(C)noc2C)ccc1N1CCOCC1
InChIInChI=1S/C18H21N3O5/c1-11-16(12(2)26-20-11)17(22)19-13-4-5-15(14(10-13)18(23)24-3)21-6-8-25-9-7-21/h4-5,10H,6-9H2,1-3H3,(H,19,22)
InChIKeyVIABPOWITCRRCD-UHFFFAOYSA-N
XLogP2.17
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate (CID 2741291) is methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate is COC(=O)c1cc(NC(=O)c2c(C)noc2C)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate?
The InChIKey is VIABPOWITCRRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-11-16(12(2)26-20-11)17(22)19-13-4-5-15(14(10-13)18(23)24-3)21-6-8-25-9-7-21/h4-5,10H,6-9H2,1-3H3,(H,19,22).
What are the key properties of methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate?
methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate has a molecular weight of 359.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 2741291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).