3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide

C29H30FN5O4 — CID 143497671

IUPAC3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide
SMILESC/C=C\C=C/C=CCNC(=O)c1cc(-c2cc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)cnc2C)no1
InChIInChI=1S/C29H30FN5O4/c1-3-4-5-6-7-8-9-31-29(37)27-18-26(34-39-27)25-17-23(19-32-20(25)2)33-28(36)21-14-22(30)16-24(15-21)35-10-12-38-13-11-35/h3-8,14-19H,9-13H2,1-2H3,(H,31,37)(H,33,36)/b4-3-,6-5-,8-7?
InChIKeyFGUFVUFEIUMYMK-IMMPONOVSA-N
MW531.59 g/mol
LogP4.69
Rot. Bonds9

About 3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide

3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide (PubChem CID 143497671) has the molecular formula C29H30FN5O4 and a molecular weight of 531.59 g/mol. Its IUPAC name is 3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide
PubChem CID143497671
Molecular FormulaC29H30FN5O4
Molecular Weight531.59 g/mol
Exact Mass531.23
IUPAC Name3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide
SMILESC/C=C\C=C/C=CCNC(=O)c1cc(-c2cc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)cnc2C)no1
InChIInChI=1S/C29H30FN5O4/c1-3-4-5-6-7-8-9-31-29(37)27-18-26(34-39-27)25-17-23(19-32-20(25)2)33-28(36)21-14-22(30)16-24(15-21)35-10-12-38-13-11-35/h3-8,14-19H,9-13H2,1-2H3,(H,31,37)(H,33,36)/b4-3-,6-5-,8-7?
InChIKeyFGUFVUFEIUMYMK-IMMPONOVSA-N
XLogP4.69
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.59
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide 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

N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 69032599
3-fluoro-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937575
N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-thiomorpholin-4-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 69088428
3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937200
3-[5-[[3-(2,6-dimethylmorpholin-4-yl)-5-fluorobenzoyl]amino]-2-methylphenyl]-N-(2,2-dimethylpropyl)-1,2-oxazole-5-carboxamide
CID 69035045
3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24936946
N-[6-[cyclohexyl(methyl)amino]-3-pyridinyl]-5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methylpyridine-3-carboxamide
CID 16665377
3-[5-[[3-(1,1-difluoroethyl)-5-(4-methylpiperazin-1-yl)benzoyl]amino]-2-methylphenyl]-N-(2,2-dimethylpropyl)-1,2-oxazole-5-carboxamide
CID 148970635
5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methyl-N-[6-(oxan-4-ylmethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 69088455
3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide
CID 91479903
3-fluoro-N-(1-methyltetrazol-5-yl)-5-morpholin-4-ylbenzamide
CID 154784049
3-[4-(aminomethyl)piperidin-1-yl]-5-fluoro-N-(2-morpholin-4-yl-[1,3]thiazolo[4,5-b]pyridin-6-yl)benzamide
CID 118224231

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide (CID 143497671) is 3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide is C/C=C\C=C/C=CCNC(=O)c1cc(-c2cc(NC(=O)c3cc(F)cc(N4CCOCC4)c3)cnc2C)no1.
What is the InChIKey of 3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide?
The InChIKey is FGUFVUFEIUMYMK-IMMPONOVSA-N. The full InChI is InChI=1S/C29H30FN5O4/c1-3-4-5-6-7-8-9-31-29(37)27-18-26(34-39-27)25-17-23(19-32-20(25)2)33-28(36)21-14-22(30)16-24(15-21)35-10-12-38-13-11-35/h3-8,14-19H,9-13H2,1-2H3,(H,31,37)(H,33,36)/b4-3-,6-5-,8-7?.
What are the key properties of 3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide?
3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide has a molecular weight of 531.59 g/mol, XLogP of 4.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-[(4Z,6Z)-octa-2,4,6-trienyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 143497671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).