5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide

C25H24F3N5O3S — CID 143146903

IUPAC5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
SMILESC=CC1SC=C(CNC(=O)c2nc(-c3ccc(OC)c4nc(C(F)(F)F)ccc34)oc2CN)[C@H]1/N=C/C
InChIInChI=1S/C25H24F3N5O3S/c1-4-18-20(30-5-2)13(12-37-18)11-31-23(34)22-17(10-29)36-24(33-22)15-6-8-16(35-3)21-14(15)7-9-19(32-21)25(26,27)28/h4-9,12,18,20H,1,10-11,29H2,2-3H3,(H,31,34)/b30-5+/t18?,20-/m1/s1
InChIKeyLNYMLZYBZNWKHH-MAMIHHJCSA-N
MW531.56 g/mol
LogP4.75
Rot. Bonds8

About 5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide

5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide (PubChem CID 143146903) has the molecular formula C25H24F3N5O3S and a molecular weight of 531.56 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
PubChem CID143146903
Molecular FormulaC25H24F3N5O3S
Molecular Weight531.56 g/mol
Exact Mass531.16
IUPAC Name5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
SMILESC=CC1SC=C(CNC(=O)c2nc(-c3ccc(OC)c4nc(C(F)(F)F)ccc34)oc2CN)[C@H]1/N=C/C
InChIInChI=1S/C25H24F3N5O3S/c1-4-18-20(30-5-2)13(12-37-18)11-31-23(34)22-17(10-29)36-24(33-22)15-6-8-16(35-3)21-14(15)7-9-19(32-21)25(26,27)28/h4-9,12,18,20H,1,10-11,29H2,2-3H3,(H,31,34)/b30-5+/t18?,20-/m1/s1
InChIKeyLNYMLZYBZNWKHH-MAMIHHJCSA-N
XLogP4.75
TPSA115.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.56
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide (CID 143146903) is 5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide is C=CC1SC=C(CNC(=O)c2nc(-c3ccc(OC)c4nc(C(F)(F)F)ccc34)oc2CN)[C@H]1/N=C/C.
What is the InChIKey of 5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is LNYMLZYBZNWKHH-MAMIHHJCSA-N. The full InChI is InChI=1S/C25H24F3N5O3S/c1-4-18-20(30-5-2)13(12-37-18)11-31-23(34)22-17(10-29)36-24(33-22)15-6-8-16(35-3)21-14(15)7-9-19(32-21)25(26,27)28/h4-9,12,18,20H,1,10-11,29H2,2-3H3,(H,31,34)/b30-5+/t18?,20-/m1/s1.
What are the key properties of 5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?
5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 531.56 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[[(3R)-2-ethenyl-3-(ethylideneamino)-2,3-dihydrothiophen-4-yl]methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 143146903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).