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

C23H23N3O5 — CID 2810081

IUPACmethyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(=O)c2c(-c3ccccc3)noc2C)ccc1N1CCOCC1
InChIInChI=1S/C23H23N3O5/c1-15-20(21(25-31-15)16-6-4-3-5-7-16)22(27)24-17-8-9-19(18(14-17)23(28)29-2)26-10-12-30-13-11-26/h3-9,14H,10-13H2,1-2H3,(H,24,27)
InChIKeyFWIOXWJIVXYOBW-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.53
Rot. Bonds5

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

methyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate (PubChem CID 2810081) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is methyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate
PubChem CID2810081
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Namemethyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(NC(=O)c2c(-c3ccccc3)noc2C)ccc1N1CCOCC1
InChIInChI=1S/C23H23N3O5/c1-15-20(21(25-31-15)16-6-4-3-5-7-16)22(27)24-17-8-9-19(18(14-17)23(28)29-2)26-10-12-30-13-11-26/h3-9,14H,10-13H2,1-2H3,(H,24,27)
InChIKeyFWIOXWJIVXYOBW-UHFFFAOYSA-N
XLogP3.53
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Methyl 3-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonylamino)benzoate
CID 850474
5-methyl-N-(2-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 2083055
5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 2088972
[2-(3-Methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614419
3-(2-chlorophenyl)-5-methyl-N-[4-(morpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 3911409
[2-(4-Methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 5243996
(7-methoxycarbonyl-4-oxo-3H-quinazolin-2-yl)methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 135670618
[2-(N-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614408
Methyl 5-{[(3,5-dimethyl-4-isoxazolyl)carbonyl]amino}-2-morpholinobenzoate
CID 2741291
N-[4-(diethylamino)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 753168
5-methyl-N-(4-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1241125
[2-(2-Methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 2614432

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate?
The IUPAC name of methyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate (CID 2810081) is methyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate is COC(=O)c1cc(NC(=O)c2c(-c3ccccc3)noc2C)ccc1N1CCOCC1.
What is the InChIKey of methyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate?
The InChIKey is FWIOXWJIVXYOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-15-20(21(25-31-15)16-6-4-3-5-7-16)22(27)24-17-8-9-19(18(14-17)23(28)29-2)26-10-12-30-13-11-26/h3-9,14H,10-13H2,1-2H3,(H,24,27).
What are the key properties of methyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate?
methyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate has a molecular weight of 421.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 2810081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).